Chemical Properties of Indomethacin, pentyl ester

Indomethacin, pentyl ester

InChI
InChI=1S/C24H26ClNO4/c1-4-5-6-13-30-23(27)15-20-16(2)26(22-12-11-19(29-3)14-21(20)22)24(28)17-7-9-18(25)10-8-17/h7-12,14H,4-6,13,15H2,1-3H3
InChI Key
QTYWTQHCPSOERT-UHFFFAOYSA-N
Formula
C24H26ClNO4
SMILES
CCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Molecular Weight1
427.92
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Physical Properties

Property Value Unit Source
ω 1.0421 Relay (1.0) Calculated Property
Δf -78.22 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -564.77 kJ/mol Relay (1.0) Calculated Property
Δvap 132.30 kJ/mol Relay (1.0) Calculated Property
IE 7.74 eV Relay (1.0) Calculated Property
log10WS -6.06 Relay (1.0) Calculated Property
logPoct/wat 5.576 Crippen Calculated Property
McVol 323.440 ml/mol McGowan Calculated Property
Pc 926.06 kPa Relay (1.0-beta) Calculated Property
Inp 3304.00 NIST
Tboil 754.14 K Relay (1.0) Calculated Property
Tc 1040.73 K Relay (1.0) Calculated Property
Tfus 360.15 K Relay (1.0) Calculated Property
Vc 1.172 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Indomethacin, isobutyl ester. Indomethacin, ethyl ester. Yohimbine. Ibogaine. Ethylmorphine, trimethylsilyl ether. Ethylmorphine. d3-morphine, di-TMS. Benzylmorphine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). 13-Acetoxyanagyrine. TCN. Nicocodine. QUINIDINE, M(HO-), AC. Ergocristine.

Find more compounds similar to Indomethacin, pentyl ester.

Sources

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