7-(3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0629 |
| Compound Name: | 7-(3-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C23 H36 N4 O3 |
| Smiles: | CCN1CCCC1CNC(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2337 |
| logD: | 1.0498 |
| logSw: | -2.7625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.326 |
| InChI Key: | WZEZJNPJJSBZGQ-HXUWFJFHSA-N |