N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-oxo-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-oxo-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-oxo-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
Compound characteristics
| Compound ID: | C336-0163 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-oxo-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide |
| Molecular Weight: | 610.69 |
| Molecular Formula: | C32 H30 N6 O5 S |
| Smiles: | C(C1C(N=C2c3ccccc3N=C(N12)SCC(N1CCN(CC1)c1ccccc1)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5423 |
| logD: | 2.541 |
| logSw: | -3.2991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.391 |
| InChI Key: | CUGFJAQOBBBJQS-VWLOTQADSA-N |