methyl 2-(3-cyclohexylpropanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-cyclohexylpropanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-(3-cyclohexylpropanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1042 |
| Compound Name: | methyl 2-(3-cyclohexylpropanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 377.55 |
| Molecular Formula: | C21 H31 N O3 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(CCC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8806 |
| logD: | 3.5569 |
| logSw: | -5.4653 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.528 |
| InChI Key: | NKDIUTMSOMAIBQ-UHFFFAOYSA-N |