7-{3-[4-(butan-2-yl)piperazin-1-yl]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{3-[4-(butan-2-yl)piperazin-1-yl]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-[4-(butan-2-yl)piperazin-1-yl]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0968 |
| Compound Name: | 7-{3-[4-(butan-2-yl)piperazin-1-yl]-3-oxopropyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C24 H38 N4 O3 |
| Smiles: | CCC(C)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.017 |
| logD: | 2.4578 |
| logSw: | -3.2808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.789 |
| InChI Key: | RXLLUNQRCUAGPR-IBGZPJMESA-N |