methyl 4,5-dimethyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D547-0217 |
| Compound Name: | methyl 4,5-dimethyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C20 H19 N O4 S |
| Smiles: | Cc1ccc2C=C(C=COc2c1)C(Nc1c(C(=O)OC)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9562 |
| logD: | 2.425 |
| logSw: | -4.8318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.922 |
| InChI Key: | RAEYJUSHOBAFCA-UHFFFAOYSA-N |