N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K279-1340 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 587.63 |
| Molecular Formula: | C30 H26 F N5 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CC(NCc3ccc(cc3)F)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5773 |
| logD: | 3.5747 |
| logSw: | -3.8911 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.101 |
| InChI Key: | BWDYIAOJRDUBJO-UHFFFAOYSA-N |