N-benzyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0259 |
| Compound Name: | N-benzyl-4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cn1cccc1CN1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3803 |
| logD: | 3.3507 |
| logSw: | -3.554 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.226 |
| InChI Key: | XGTCMCDJSXNKLK-UHFFFAOYSA-N |