5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3654 |
| Compound Name: | 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 578.17 |
| Molecular Formula: | C29 H24 Cl N3 O2 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2022 |
| logD: | 7.2022 |
| logSw: | -6.4825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 38.998 |
| InChI Key: | MCDWEGWDKYABRN-UHFFFAOYSA-N |