7-(dimethylamino)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(dimethylamino)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(dimethylamino)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S555-2069 |
| Compound Name: | 7-(dimethylamino)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)C(NCc2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9975 |
| logD: | 2.9911 |
| logSw: | -3.3393 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.322 |
| InChI Key: | BQCACLSADNTLKA-UHFFFAOYSA-N |