4-[(5-methylfuran-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(5-methylfuran-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(5-methylfuran-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0067 |
| Compound Name: | 4-[(5-methylfuran-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C24 H26 N2 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3ccc(C)o3)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1666 |
| logD: | 3.8827 |
| logSw: | -4.1005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.591 |
| InChI Key: | PMIGAKCPTYWVJE-UHFFFAOYSA-N |