N-benzyl-4-[(1H-imidazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(1H-imidazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(1H-imidazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0254 |
| Compound Name: | N-benzyl-4-[(1H-imidazol-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)C(Cn2ccnc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6395 |
| logD: | 1.4758 |
| logSw: | -2.1473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.539 |
| InChI Key: | TYXAABNPPZBENP-UHFFFAOYSA-N |