methyl 2-{1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}-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)methyl]-1H-pyrazol-3-yl}-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)methyl]-1H-pyrazol-3-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y509-8821 |
| Compound Name: | methyl 2-{1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C19 H17 Cl N8 O2 S |
| Smiles: | Cc1c2c3nc(c4ccn(Cn5c(C)c(c(C)n5)[Cl])n4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7427 |
| logD: | 2.7411 |
| logSw: | -3.5469 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.657 |
| InChI Key: | QWAZGTJCTUISEP-UHFFFAOYSA-N |