Chemical Properties of Trimazosin

Trimazosin

InChI
InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)
InChI Key
YNZXWQJZEDLQEG-UHFFFAOYSA-N
Formula
C20H29N5O6
SMILES
COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC
Molecular Weight1
435.48
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Physical Properties

Property Value Unit Source
ω 1.2694 Relay (1.0) Calculated Property
ΔfG° -58.70 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -764.24 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 140.81 kJ/mol Relay (1.0) Calculated Property
IE 7.65 eV Relay (1.0) Calculated Property
log10WS [-3.64; -3.64]   Show Hide
log10WS -3.64 Aq. Solubility Prediction
log10WS -3.64 Estimated Solubility
logPoct/wat 1.267 Crippen Calculated Property
McVol 319.400 ml/mol McGowan Calculated Property
Pc 664.23 kPa Relay (1.0-beta) Calculated Property
Tboil 764.98 K Relay (1.0) Calculated Property
Tc 1106.03 K Relay (1.0) Calculated Property
Tfus 459.09 K Relay (1.0) Calculated Property
Vc 1.200 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Tetrabenazine M (desmethyl-HO-), monoacetylated. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. QUINIDINE, AC. QUINIDINE, M(N-OXIDE), AC. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 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. Ergocristine.

Find more compounds similar to Trimazosin.

Sources

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