N-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0157 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C25 H25 F N2 O3 |
| Smiles: | COc1cccc(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.414 |
| logD: | 3.4691 |
| logSw: | -4.3007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.872 |
| InChI Key: | VEQRCJHZJKDWLX-UHFFFAOYSA-N |