3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3854 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 583.11 |
| Molecular Formula: | C26 H19 Cl N4 O4 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccc(cc2)OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.7297 |
| logD: | 6.7297 |
| logSw: | -6.4021 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 67.88 |
| InChI Key: | HAMRWFKVTZFCJR-UHFFFAOYSA-N |