N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K297-0894 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(c2ccccc2n1)Nc1cc(cc(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4589 |
| logD: | 6.4588 |
| logSw: | -5.9014 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.093 |
| InChI Key: | RHCDQQMNQNTPGC-DEOSSOPVSA-N |