propyl 2-{[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-{[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3365-3865 |
| Compound Name: | propyl 2-{[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 533.09 |
| Molecular Formula: | C30 H29 Cl N2 O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(c1c(C)c(c2ccc(cc2)[Cl])nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2057 |
| logD: | 5.7315 |
| logSw: | -6.6782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.253 |
| InChI Key: | BXHRWEWOOYVXEN-UHFFFAOYSA-N |