N-{4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
N-{4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V012-9240 |
| Compound Name: | N-{4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | COc1ccccc1CCN1Cc2cc(ccc2OCC1=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3764 |
| logD: | 3.3764 |
| logSw: | -3.649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.295 |
| InChI Key: | BUTCLZXIFYHTLB-UHFFFAOYSA-N |