4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 4142-0867 |
| Compound Name: | 4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 425.93 |
| Molecular Formula: | C20 H24 Cl N O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C1CC(=CCC1C(O)=O)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1248 |
| logD: | 0.7463 |
| logSw: | -4.4415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.73 |
| InChI Key: | AGNVPCNTOKYBED-UHFFFAOYSA-N |