6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
Compound ID: | Y503-0924 |
Compound Name: | 6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
Molecular Weight: | 391.48 |
Molecular Formula: | C20 H25 N O5 S |
Smiles: | CCCOC(c1c2CCCCc2sc1NC(C1CC=CCC1C(O)=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8603 |
logD: | 0.4818 |
logSw: | -4.2074 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.693 |
InChI Key: | DLCAKYXPUCYWGE-UHFFFAOYSA-N |