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-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C336-0164 |
| 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-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 606.06 |
| Molecular Formula: | C29 H24 Cl N5 O6 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc4c(c3)OCO4)=O)N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1548 |
| logD: | 3.1534 |
| logSw: | -3.6548 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.518 |
| InChI Key: | BATVPAVNLBKVRF-NRFANRHFSA-N |