N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1758 |
| Compound Name: | N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | CCn1ccc(C(N2CCOc3ccc(CCC(NC4CC4)=O)cc3C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6836 |
| logD: | 1.6836 |
| logSw: | -2.405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.472 |
| InChI Key: | LVSYHRYGJYKIAQ-UHFFFAOYSA-N |