N-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1762 |
| Compound Name: | N-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | C1CC1C(Nc1ccc2c(CN(CCO2)C(c2cc(C3CC3)[nH]n2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7983 |
| logD: | 2.7983 |
| logSw: | -3.2821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.458 |
| InChI Key: | VYXHKPWXBMJARH-UHFFFAOYSA-N |