4-[(2H-1-benzopyran-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2H-1-benzopyran-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2H-1-benzopyran-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0131 |
| Compound Name: | 4-[(2H-1-benzopyran-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C28 H28 N2 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)CC3COc4ccccc4C=3)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8053 |
| logD: | 4.8045 |
| logSw: | -4.604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.699 |
| InChI Key: | FKAFMFJMXLXJOC-UHFFFAOYSA-N |