{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | A0018940 |
| Compound Name: | {[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 515.47 |
| Molecular Formula: | C21 H15 Br N4 O S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(=N2)SCC#N)c2ccc(cc2)[Br])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1164 |
| logD: | 5.1164 |
| logSw: | -4.9762 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.116 |
| InChI Key: | MSXFUCWEOIOYCD-UHFFFAOYSA-N |