N-(2H-1,3-benzodioxol-5-yl)-2-({3-[3-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-3-oxopropyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K279-1027 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({3-[3-(cyclohexylamino)-3-oxopropyl]-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 575.69 |
| Molecular Formula: | C30 H33 N5 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NC3CCCCC3)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2297 |
| logD: | 4.2289 |
| logSw: | -4.296 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.827 |
| InChI Key: | VHTNIKOSFJCZSJ-UHFFFAOYSA-N |