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-(4-ethoxyphenyl)acetamide
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-(4-ethoxyphenyl)acetamide
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-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K279-1463 |
| 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-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C30 H27 N5 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0131 |
| logD: | 3.0118 |
| logSw: | -3.6752 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.011 |
| InChI Key: | QTHOKXNWEHPWEZ-QHCPKHFHSA-N |