ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0642 |
| Compound Name: | ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 473.97 |
| Molecular Formula: | C24 H24 Cl N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2183 |
| logD: | 3.7283 |
| logSw: | -6.4383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.738 |
| InChI Key: | WWVPPGFCBNZJKW-CYBMUJFWSA-N |