N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | C561-1882 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | Cc1c(CCC(NCCc2ccc(cc2)SC)=O)c(C)n2c(n1)nc(C)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.0265 |
| logD: | 2.0261 |
| logSw: | -2.6209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.03 |
| InChI Key: | OAQYHSJKRDFEDU-UHFFFAOYSA-N |