2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-9-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-9-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-9-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5801 |
| Compound Name: | 2-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-9-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C18 H19 Cl N6 S |
| Smiles: | CCC1CCc2c3c4nc(c5c(c(C)nn5C)[Cl])nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8442 |
| logD: | 3.8442 |
| logSw: | -4.9605 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.445 |
| InChI Key: | JUPJHZBKFRUNAE-SNVBAGLBSA-N |