4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)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-oxo-2-phenylethyl)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-oxo-2-phenylethyl)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: | 4386-0203 |
| Compound Name: | 4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)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: | 500.64 |
| Molecular Formula: | C27 H24 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c3CCCCCc3sc2n2c1nnc2SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7197 |
| logD: | 5.7197 |
| logSw: | -5.4241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.651 |
| InChI Key: | ZDKIVTLAUQURJR-UHFFFAOYSA-N |