Chemical Properties of Warfarin methylated

Warfarin methylated

InChI
InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3
InChI Key
FGAWENWBTHQLEE-UHFFFAOYSA-N
Formula
C20H18O4
SMILES
COc1c(C(CC(C)=O)c2ccccc2)c(=O)oc2ccccc12
Molecular Weight1
322.35
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Physical Properties

Property Value Unit Source
ω 0.7225 Relay (1.0) Calculated Property
Δf -80.31 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -354.40 kJ/mol Relay (1.0) Calculated Property
Δvap 117.36 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -3.87 Relay (1.0) Calculated Property
logPoct/wat 3.913 Crippen Calculated Property
McVol 244.860 ml/mol McGowan Calculated Property
Pc 1821.02 kPa Relay (1.0-beta) Calculated Property
Tboil 702.95 K Relay (1.0) Calculated Property
Tc 989.41 K Relay (1.0) Calculated Property
Tfus 392.95 K Relay (1.0) Calculated Property
Vc 0.866 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Warfarin, pentafluoropropionate. Warfarin, heptafluorobutyrate. Warfarin. Coumachlor. 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-. 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-. Acenocoumarol. Aflatoxin G1. Warfarin, tert-butyldimethylsilyl ether. Warfarin, O-trimethylsilyl-. bromadiolone. N-Desmethylmirtazapine. Aflatoxin B1. Heptafluorobutyryl-codeine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to Warfarin methylated.

Sources

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