N-cyclopropyl-3-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1890 |
| Compound Name: | N-cyclopropyl-3-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1282 |
| logD: | 1.1282 |
| logSw: | -2.5605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.561 |
| InChI Key: | IYHUAGDXLNYSGO-UHFFFAOYSA-N |