N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | V023-1198 |
| Compound Name: | N-{4-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C24 H24 N2 O5 S |
| Smiles: | COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(Cc2cccs2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6917 |
| logD: | 2.6917 |
| logSw: | -3.1863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | HXOQYLWMXGSSIS-UHFFFAOYSA-N |