3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(2-methylphenyl)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-{[(2-methylphenyl)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-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3845 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 552.14 |
| Molecular Formula: | C27 H22 Cl N3 O2 S3 |
| Smiles: | Cc1ccccc1CSC1=NC2=C(C(N1c1ccc(cc1)OC)=O)SC(N2c1ccc(c(C)c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 7.6677 |
| logD: | 7.6677 |
| logSw: | -6.4454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.498 |
| InChI Key: | GQIYMMZBVQRNAP-UHFFFAOYSA-N |