N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1769 |
| Compound Name: | N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | Cc1c(cn(C)n1)C(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3373 |
| logD: | 1.3372 |
| logSw: | -2.3514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.607 |
| InChI Key: | YIEKSXWBPLAMHH-UHFFFAOYSA-N |