N-cyclopropyl-3-[4-(phenylmethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(phenylmethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(phenylmethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1885 |
| Compound Name: | N-cyclopropyl-3-[4-(phenylmethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | C(Cc1ccc2c(CN(CCO2)S(Cc2ccccc2)(=O)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6296 |
| logD: | 2.6296 |
| logSw: | -3.0694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.044 |
| InChI Key: | IOVSGZYQVZAOBN-UHFFFAOYSA-N |