1-[(3-methylbutyl)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-[(3-methylbutyl)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-[(3-methylbutyl)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: | 4159-0100 |
| Compound Name: | 1-[(3-methylbutyl)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: | 424.59 |
| Molecular Formula: | C22 H24 N4 O S2 |
| Smiles: | CC(C)CCSc1nnc2N(C(c3c4CCCc4sc3n12)=O)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3823 |
| logD: | 5.3823 |
| logSw: | -5.3736 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.71 |
| InChI Key: | LPYCYUGJMOTTPG-UHFFFAOYSA-N |