N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[2-(2,5-dimethoxyanilino)-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-(2,5-dimethoxyanilino)-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-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide
Compound characteristics
| Compound ID: | K279-0663 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl)propanamide |
| Molecular Weight: | 615.67 |
| Molecular Formula: | C31 H29 N5 O7 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2ccccc2C2=NC(C(CCC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6648 |
| logD: | 2.6641 |
| logSw: | -3.4084 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.364 |
| InChI Key: | TWJFHSTYAAUVEO-QHCPKHFHSA-N |