N-(2H-1,3-benzodioxol-5-yl)-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}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-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}butanamide
N-(2H-1,3-benzodioxol-5-yl)-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}butanamide
Compound characteristics
| Compound ID: | K279-0680 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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}butanamide |
| Molecular Weight: | 627.68 |
| Molecular Formula: | C32 H29 N5 O7 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NCc3ccc4c(c3)OCO4)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7985 |
| logD: | 3.7977 |
| logSw: | -4.0072 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.217 |
| InChI Key: | SFQCIMMGESGMRN-UHFFFAOYSA-N |