N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V018-0263 |
| Compound Name: | N-{4-[2-(4-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: | COc1ccc(CCN2Cc3cc(ccc3OCC2=O)NC(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3234 |
| logD: | 3.3234 |
| logSw: | -3.5692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.209 |
| InChI Key: | GRGFXKZBFJRQSG-UHFFFAOYSA-N |