N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(3-nitrophenyl)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-{[(3-nitrophenyl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
Compound characteristics
| Compound ID: | K279-0639 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide |
| Molecular Weight: | 557.58 |
| Molecular Formula: | C28 H23 N5 O6 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C2c3ccccc3N=C(N12)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4457 |
| logD: | 3.445 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.12 |
| InChI Key: | PIIGMWFZYZENAH-QFIPXVFZSA-N |