methyl 3-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | J007-1174 |
| Compound Name: | methyl 3-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 392.9 |
| Molecular Formula: | C19 H21 Cl N2 O3 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCCCCC1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8943 |
| logD: | 4.894 |
| logSw: | -5.0866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.955 |
| InChI Key: | QRRWIZRXGQMRAG-INIZCTEOSA-N |