N-butyl-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-methylacetamide
Chemical Structure Depiction of
N-butyl-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-methylacetamide
N-butyl-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-methylacetamide
Compound characteristics
| Compound ID: | K297-0883 |
| Compound Name: | N-butyl-2-{[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl}-N-methylacetamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CCCCN(C)C(CSc1nc(c2ccccc2n1)Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0032 |
| logD: | 5.0025 |
| logSw: | -4.8027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.759 |
| InChI Key: | VCXMQLAKZIIHID-UHFFFAOYSA-N |