N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C445-0056 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 511.91 |
| Molecular Formula: | C21 H17 Cl F3 N5 O3 S |
| Smiles: | Cc1nc2c3cc(c(cc3nc(n2n1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1257 |
| logD: | 4.0764 |
| logSw: | -4.5053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.394 |
| InChI Key: | DAHURFKTWMUFSA-UHFFFAOYSA-N |