N-(2H-1,3-benzodioxol-5-yl)-2-{[2-oxo-3-(3-oxo-3-{[(thiophen-2-yl)methyl]amino}propyl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-oxo-3-(3-oxo-3-{[(thiophen-2-yl)methyl]amino}propyl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-oxo-3-(3-oxo-3-{[(thiophen-2-yl)methyl]amino}propyl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K279-0923 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-oxo-3-(3-oxo-3-{[(thiophen-2-yl)methyl]amino}propyl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C29 H27 N5 O5 S2 |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NCc3cccs3)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8605 |
| logD: | 3.8596 |
| logSw: | -4.0376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.12 |
| InChI Key: | BENPXASWAXFWBU-UHFFFAOYSA-N |