N-benzyl-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0279 |
| Compound Name: | N-benzyl-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | Cc1cc(C)n(CCC(N2CCOc3ccc(cc3C2)C(NCc2ccccc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1273 |
| logD: | 2.1271 |
| logSw: | -2.9123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.702 |
| InChI Key: | FMSMZIFWPQVQIY-UHFFFAOYSA-N |