4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | 3683-0162 |
Compound Name: | 4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 436.6 |
Molecular Formula: | C23 H24 N4 O S2 |
Smiles: | CC(=C)CSc1nnc2N(C(c3c4CCCCCc4sc3n12)=O)c1ccc(C)cc1 |
Stereo: | ACHIRAL |
logP: | 5.9756 |
logD: | 5.9756 |
logSw: | -5.3861 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.675 |
InChI Key: | MVVZSDUFIRURMH-UHFFFAOYSA-N |