5,6-dimethyl-2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5,6-dimethyl-2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
5,6-dimethyl-2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G856-6160 |
| Compound Name: | 5,6-dimethyl-2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C17 H15 N5 O S3 |
| Smiles: | Cc1c2C(NC(=Nc2sc1C)SCC1=NNC(N1c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3911 |
| logD: | 2.2898 |
| logSw: | -3.9998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.266 |
| InChI Key: | MDKPHABWUZYDEJ-UHFFFAOYSA-N |