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-[4-(propan-2-yl)phenyl]acetamide
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-[4-(propan-2-yl)phenyl]acetamide
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-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K279-1487 |
| 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-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 583.67 |
| Molecular Formula: | C31 H29 N5 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9824 |
| logD: | 3.981 |
| logSw: | -4.2031 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.888 |
| InChI Key: | GPCICYVAGMZXBR-DEOSSOPVSA-N |