4-[(2-methyl-1H-imidazol-1-yl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2-methyl-1H-imidazol-1-yl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2-methyl-1H-imidazol-1-yl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S650-5955 |
| Compound Name: | 4-[(2-methyl-1H-imidazol-1-yl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)C(Cn3ccnc3C)=O)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.11 |
| logD: | 1.085 |
| logSw: | -2.9047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.275 |
| InChI Key: | SCFFZUOQXNWUSO-UHFFFAOYSA-N |