N-(3,4-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(3,4-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0028 |
| Compound Name: | N-(3,4-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | Cc1ccc(cc1C)NC(N1CCOc2ccc(cc2C1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8569 |
| logD: | 3.8569 |
| logSw: | -3.9009 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.666 |
| InChI Key: | BKHRRHSFDCPSEV-UHFFFAOYSA-N |