methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0125 |
| Compound Name: | methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C19 H17 N O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(C2C=COc3ccccc3C=2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.3596 |
| logD: | 1.8285 |
| logSw: | -4.5838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.922 |
| InChI Key: | CJXHFEQNOOYIOM-UHFFFAOYSA-N |