1-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | IB08-9051 |
| Compound Name: | 1-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 513.47 |
| Molecular Formula: | C24 H18 Cl2 N4 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c3CCCc3sc2n2c1nnc2SCc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.68 |
| logD: | 6.68 |
| logSw: | -7.57 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 103.33 |
| InChI Key: | SYQFGSSBJLICAE-UHFFFAOYSA-N |