methyl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1156 |
| Compound Name: | methyl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C30 H30 N2 O4 S |
| Smiles: | Cc1c(C(Nc2c(C(=O)OC)c3CCCCCCc3s2)=O)c2ccccc2nc1c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 7.1952 |
| logD: | 4.721 |
| logSw: | -5.9005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.923 |
| InChI Key: | AFZHPMNFTKQAEE-UHFFFAOYSA-N |