2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-benzyl-N-ethylacetamide
Chemical Structure Depiction of
2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-benzyl-N-ethylacetamide
2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-benzyl-N-ethylacetamide
Compound characteristics
| Compound ID: | K279-1488 |
| Compound Name: | 2-{[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-benzyl-N-ethylacetamide |
| Molecular Weight: | 583.67 |
| Molecular Formula: | C31 H29 N5 O5 S |
| Smiles: | CCN(Cc1ccccc1)C(CSC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8779 |
| logD: | 2.8765 |
| logSw: | -3.6027 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | JADBVZDAEYZXRW-DEOSSOPVSA-N |