N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}acetamide
Compound characteristics
| Compound ID: | K279-1457 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}acetamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C22 H17 N5 O4 S |
| Smiles: | C(C1C(N=C2c3ccccc3N=C(N12)SCC#N)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2327 |
| logD: | 1.2271 |
| logSw: | -2.5823 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.502 |
| InChI Key: | RCWOJDIRCRQEAV-INIZCTEOSA-N |