methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0126 |
| Compound Name: | methyl 2-[(1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1C=COc2ccccc2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8172 |
| logD: | 2.3272 |
| logSw: | -4.7392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.843 |
| InChI Key: | ZISFCOVDSPGUNT-UHFFFAOYSA-N |