3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018670 |
| Compound Name: | 3-(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 560.72 |
| Molecular Formula: | C28 H24 N4 O3 S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(CCc3ccccc3)C(=N2)SCc2cccc(c2)[N+]([O-])=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.733 |
| logD: | 6.733 |
| logSw: | -5.6144 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.324 |
| InChI Key: | MNDCFYKHWYCHCO-UHFFFAOYSA-N |