N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Compound characteristics
| Compound ID: | K279-0638 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{5-[(cyanomethyl)sulfanyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C2c3ccccc3N=C(N12)SCC#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5699 |
| logD: | 1.5688 |
| logSw: | -2.7528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.502 |
| InChI Key: | BGUJTWLTVJWHQV-KRWDZBQOSA-N |