2-(4-ethylpiperazin-1-yl)-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | C909-0076 |
| Compound Name: | 2-(4-ethylpiperazin-1-yl)-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CCN1CCN(CC1)C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.933 |
| logD: | 0.3822 |
| logSw: | -2.419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.268 |
| InChI Key: | PRLKJWNBSBJZRB-UHFFFAOYSA-N |