5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3737 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 536.74 |
| Molecular Formula: | C27 H28 N4 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC(N2CCCCCC2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6882 |
| logD: | 5.6882 |
| logSw: | -5.2924 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.377 |
| InChI Key: | OQSOPAULDKMAQM-UHFFFAOYSA-N |