2-{[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
2-{[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K279-0678 |
| Compound Name: | 2-{[3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 587.65 |
| Molecular Formula: | C30 H29 N5 O6 S |
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NCc3ccc4c(c3)OCO4)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2333 |
| logD: | 3.2325 |
| logSw: | -3.6914 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.172 |
| InChI Key: | GIRZHHPNIHFZME-UHFFFAOYSA-N |