N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(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)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(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)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(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)propanamide
Compound characteristics
| Compound ID: | K279-0673 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(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)propanamide |
| Molecular Weight: | 615.07 |
| Molecular Formula: | C30 H23 Cl N6 O5 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C2c3ccccc3N=C(N12)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2729 |
| logD: | 2.2722 |
| logSw: | -3.5913 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.244 |
| InChI Key: | IXUCYYITIFNOPV-QFIPXVFZSA-N |