7-(dimethylamino)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(dimethylamino)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(dimethylamino)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S555-2003 |
| Compound Name: | 7-(dimethylamino)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | Cc1ccc(cc1C)NC(N1CCOc2ccc(cc2C1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3751 |
| logD: | 4.3686 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.457 |
| InChI Key: | VRZGOQKYJKQNMX-UHFFFAOYSA-N |