3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(2-phenylethyl)propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | S629-0646 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCc3ccccc3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1043 |
| logD: | 2.1043 |
| logSw: | -2.9667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.699 |
| InChI Key: | XCFYCIOULVVTPJ-UHFFFAOYSA-N |