N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide
Compound characteristics
| Compound ID: | K279-0662 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-oxo-5-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2,3-dihydroimidazo[1,2-c]quinazolin-3-yl}propanamide |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C28 H29 N5 O6 S |
| Smiles: | C1CC(CNC(CSC2=Nc3ccccc3C3=NC(C(CCC(NCc4ccc5c(c4)OCO5)=O)N23)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1182 |
| logD: | 1.1175 |
| logSw: | -2.542 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.864 |
| InChI Key: | IPTMWNAJPHDCGX-UHFFFAOYSA-N |