ethyl 2-[(1-benzoxepine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-benzoxepine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-[(1-benzoxepine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0138 |
| Compound Name: | ethyl 2-[(1-benzoxepine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C25 H21 N O4 S |
| Smiles: | CCOC(c1c(csc1NC(C1C=COc2ccccc2C=1)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.15 |
| logD: | 6.1189 |
| logSw: | -5.6062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.231 |
| InChI Key: | RRYGRAQOIFOQOH-UHFFFAOYSA-N |