4-[(2-chloropyridin-3-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2-chloropyridin-3-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2-chloropyridin-3-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0168 |
| Compound Name: | 4-[(2-chloropyridin-3-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C23 H21 Cl F N3 O2 |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2cccnc2[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0009 |
| logD: | 3.9932 |
| logSw: | -4.5791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.014 |
| InChI Key: | FXYVTVICCUBYSI-UHFFFAOYSA-N |