N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0143 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C24 H22 F2 N2 O2 |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2cccc(c2)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4808 |
| logD: | 4.4189 |
| logSw: | -4.4005 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.328 |
| InChI Key: | UBCBBNGIOJEQOV-UHFFFAOYSA-N |