N-[(4-methylphenyl)methyl]-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K297-0614 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CSc2nc(c3ccccc3n2)Nc2cc(c(c(c2)OC)OC)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.914 |
| logD: | 4.9139 |
| logSw: | -4.8378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.977 |
| InChI Key: | XYRCUBXRNBCSAW-UHFFFAOYSA-N |