2-({[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzonitrile
2-({[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | K286-4195 |
| Compound Name: | 2-({[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C26 H18 N4 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCc2ccccc2C#N)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6187 |
| logD: | 5.6187 |
| logSw: | -5.4712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 43.71 |
| InChI Key: | MPKYYAOEUQGCFA-UHFFFAOYSA-N |