N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[2-(4-methoxyanilino)-2-oxoethyl]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-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
Compound characteristics
Compound ID: | K279-0670 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide |
Molecular Weight: | 585.64 |
Molecular Formula: | C30 H27 N5 O6 S |
Smiles: | COc1ccc(cc1)NC(CSC1=Nc2ccccc2C2=NC(C(CCC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9638 |
logD: | 2.9631 |
logSw: | -3.7204 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.432 |
InChI Key: | ZZFXVUROKRLDHE-QHCPKHFHSA-N |