2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
Chemical Structure Depiction of
2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
Compound characteristics
| Compound ID: | K279-1502 |
| Compound Name: | 2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide |
| Molecular Weight: | 583.67 |
| Molecular Formula: | C31 H29 N5 O5 S |
| Smiles: | CCC(C(Nc1cccc(C)c1)=O)SC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9881 |
| logD: | 3.9856 |
| logSw: | -4.2037 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.101 |
| InChI Key: | HBVIBDRXANCZDV-UHFFFAOYSA-N |