4-[(3-fluoro-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3-fluoro-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3-fluoro-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0161 |
| Compound Name: | 4-[(3-fluoro-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C24 H22 F2 N2 O3 |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2ccc(c(c2)F)O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0401 |
| logD: | 3.9812 |
| logSw: | -3.9409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.877 |
| InChI Key: | JQQORIAYZMEOCU-UHFFFAOYSA-N |