methyl 2-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y503-1370 |
| Compound Name: | methyl 2-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 404.88 |
| Molecular Formula: | C17 H17 Cl N6 O2 S |
| Smiles: | CC(c1nc2c3c(C)c(C(=O)OC)sc3ncn2n1)n1c(C)c(c(C)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8909 |
| logD: | 2.8848 |
| logSw: | -3.5739 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.935 |
| InChI Key: | RQMXDGAREPJXDC-JTQLQIEISA-N |