1-(4-chlorophenyl)-2-[(5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-[(5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethan-1-one
1-(4-chlorophenyl)-2-[(5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8012-9675 |
| Compound Name: | 1-(4-chlorophenyl)-2-[(5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C19 H15 Cl N4 O S2 |
| Smiles: | CC1=Nc2c(c3CCCc3s2)c2nnc(n12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1272 |
| logD: | 4.1272 |
| logSw: | -4.8481 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.98 |
| InChI Key: | YYNYUJDBLVTGBY-UHFFFAOYSA-N |