2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K286-3704 |
| Compound Name: | 2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 559.17 |
| Molecular Formula: | C26 H27 Cl N4 O2 S3 |
| Smiles: | CC(C)CCNC(CSC1=NC2=C(C(N1c1ccc(C)cc1)=O)SC(N2c1ccc(c(C)c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2554 |
| logD: | 6.2554 |
| logSw: | -6.189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.539 |
| InChI Key: | SGMAXIZHPAMYRW-UHFFFAOYSA-N |