1-(3,4-dichlorophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dichlorophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0496 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 528.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O3 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCC(c2ccc(c(c2)[Cl])[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.5186 |
| logD: | 6.5183 |
| logSw: | -6.3331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.199 |
| InChI Key: | XPCPUYBQMCBPAN-UHFFFAOYSA-N |