5-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3652 |
| Compound Name: | 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 543.77 |
| Molecular Formula: | C30 H29 N3 O S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(=N2)SCc2ccc(cc2)C(C)(C)C)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 7.6914 |
| logD: | 7.6914 |
| logSw: | -5.7854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.3526 |
| InChI Key: | QPLKWAQFHQBCOY-UHFFFAOYSA-N |