N-(butan-2-yl)-7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(butan-2-yl)-7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S555-2016 |
| Compound Name: | N-(butan-2-yl)-7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 291.39 |
| Molecular Formula: | C16 H25 N3 O2 |
| Smiles: | CCC(C)NC(N1CCOc2ccc(cc2C1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9085 |
| logD: | 2.902 |
| logSw: | -3.3525 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.492 |
| InChI Key: | XTAJHUHYFCHDGC-LBPRGKRZSA-N |