4-(2-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-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
4-(2-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(2-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-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: | 3683-0611 |
| Compound Name: | 4-(2-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C21 H20 N4 O S2 |
| Smiles: | CC(=C)CSc1nnc2N(C(c3c4CCCc4sc3n12)=O)c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 5.0741 |
| logD: | 5.0741 |
| logSw: | -4.7978 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.409 |
| InChI Key: | SSOCLUSIYZYWKK-UHFFFAOYSA-N |