N-[(2-fluorophenyl)methyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0176 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C23 H24 F N3 O2 |
| Smiles: | Cn1cccc1CN1CCOc2ccc(cc2C1)C(NCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7547 |
| logD: | 3.7251 |
| logSw: | -3.8928 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.226 |
| InChI Key: | SXQQJNXVFVLDQK-UHFFFAOYSA-N |