N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1905 |
| Compound Name: | N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | CCn1cc(cn1)S(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4682 |
| logD: | 1.4682 |
| logSw: | -2.5927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.652 |
| InChI Key: | GQGZCJCFCBVOIU-UHFFFAOYSA-N |