N-(2H-1,3-benzodioxol-5-yl)-2-[(2-oxo-3-{3-oxo-3-[(2-phenylethyl)amino]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-[(2-phenylethyl)amino]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-[(2-phenylethyl)amino]propyl}-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | K279-0874 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(2-oxo-3-{3-oxo-3-[(2-phenylethyl)amino]propyl}-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide |
| Molecular Weight: | 597.69 |
| Molecular Formula: | C32 H31 N5 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NCCc3ccccc3)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6602 |
| logD: | 3.6593 |
| logSw: | -3.9626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.943 |
| InChI Key: | DBEYLVZPORDTFV-UHFFFAOYSA-N |