4-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0070 |
| Compound Name: | 4-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C26 H28 N2 O4 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cccc(c3O)OC)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3107 |
| logD: | 3.6087 |
| logSw: | -4.1336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.438 |
| InChI Key: | ZWVLFDJLFMKSLN-UHFFFAOYSA-N |