N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K297-0653 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)butanamide |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C26 H22 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(c2ccccc2n1)Nc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1529 |
| logD: | 6.1528 |
| logSw: | -5.7541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.121 |
| InChI Key: | ODPCCWANKZPDEE-QHCPKHFHSA-N |