3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Chemical Structure Depiction of
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | C561-1821 |
| Compound Name: | 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Smiles: | Cc1c(CCC(NCCc2ccc(cc2)SC)=O)c(C)n2c(n1)nc(c1cc(cc(c1)OC)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.9174 |
| logD: | 3.7863 |
| logSw: | -4.2386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.233 |
| InChI Key: | ZKRGFFHDKWJLPO-UHFFFAOYSA-N |