N-(2H-1,3-benzodioxol-5-yl)-2-({2-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({2-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({2-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | C336-0195 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({2-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 638.75 |
| Molecular Formula: | C34 H34 N6 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(N3CCN(CC3)c3ccccc3)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.004 |
| logD: | 4.0031 |
| logSw: | -4.1977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.283 |
| InChI Key: | XKPMGWIJEHADHM-UHFFFAOYSA-N |