N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]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-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
Compound characteristics
| Compound ID: | K279-1492 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide |
| Molecular Weight: | 601.04 |
| Molecular Formula: | C29 H21 Cl N6 O5 S |
| Smiles: | C(C1C(N=C2c3ccccc3N=C(N12)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9357 |
| logD: | 1.9343 |
| logSw: | -3.2143 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.244 |
| InChI Key: | LGAOUYZWUSNHQX-NRFANRHFSA-N |