N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Compound characteristics
| Compound ID: | K279-0654 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide |
| Molecular Weight: | 662.74 |
| Molecular Formula: | C31 H30 N6 O7 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C2c3ccccc3N=C(N12)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.798 |
| logD: | 0.7972 |
| logSw: | -2.5177 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 151.655 |
| InChI Key: | UJWHKTVFEPUTMZ-DEOSSOPVSA-N |