3-(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018510 |
| Compound Name: | 3-(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C27 H21 N3 O2 S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(=N2)SCC(c2ccccc2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.5946 |
| logD: | 5.5946 |
| logSw: | -5.5182 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.6 |
| InChI Key: | HREHRAHOGYNNBR-UHFFFAOYSA-N |