{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-1387 |
| Compound Name: | {[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C20 H14 N4 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC#N)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.8027 |
| logD: | 3.8027 |
| logSw: | -4.0227 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.417 |
| InChI Key: | QIHFFRIPUNJARD-UHFFFAOYSA-N |