N-[2-(1H-indol-3-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0692 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCc3c[nH]c4ccccc34)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4555 |
| logD: | 2.4555 |
| logSw: | -3.0068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.57 |
| InChI Key: | ABXDKPFEUBXAAN-UHFFFAOYSA-N |