Chemical Properties of Trimethylsilyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate

Trimethylsilyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate

InChI
InChI=1S/C20H28N2O5SSi/c1-5-6-12-22-17-13-15(20(23)27-29(2,3)4)14-18(28(21,24)25)19(17)26-16-10-8-7-9-11-16/h7-11,13-14,22H,5-6,12H2,1-4H3,(H2,21,24,25)
InChI Key
SKGQFYOTNUIMGW-UHFFFAOYSA-N
Formula
C20H28N2O5SSi
SMILES
CCCCNc1cc(C(=O)O[Si](C)(C)C)cc(S(N)(=O)=O)c1Oc1ccccc1
Molecular Weight1
436.60
Other Names
  • Bumetanide, tms derivative
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Physical Properties

Property Value Unit Source
ω 1.0626 Relay (1.0) Calculated Property
ΔfG° -238.18 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -818.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 116.27 kJ/mol Relay (1.0) Calculated Property
IE 7.41 eV Relay (1.0) Calculated Property
log10WS -5.18 Relay (1.0) Calculated Property
logPoct/wat 4.330 Crippen Calculated Property
Pc 983.44 kPa Relay (1.0-beta) Calculated Property
Inp 3157.80 NIST
Tboil 716.81 K Relay (1.0) Calculated Property
Tc 1011.22 K Relay (1.0) Calculated Property
Tfus 391.43 K Relay (1.0) Calculated Property
Vc 1.184 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Bumetanide. Trimethylsilyl 3-(aminosulfonyl)-5-[butyl(trimethylsilyl)amino]-4-phenoxybenzoate. norbormide. Retroisosensine. Retroisosenine. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Trimethylsilyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate.

Sources

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