4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0130 |
| Compound Name: | 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3c(C)noc3C)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5323 |
| logD: | 2.4757 |
| logSw: | -3.6032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.367 |
| InChI Key: | IEJBPFQBPOAZQA-UHFFFAOYSA-N |