N-(3-chloro-4-methoxyphenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-(3-chloro-4-methoxyphenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C445-0269 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 582.08 |
| Molecular Formula: | C27 H28 Cl N7 O4 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCC(Nc2ccc(c(c2)[Cl])OC)=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5753 |
| logD: | 3.458 |
| logSw: | -3.8567 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.813 |
| InChI Key: | UCVICXCVJSLOHY-UHFFFAOYSA-N |