3,6-dibenzyl-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3,6-dibenzyl-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3,6-dibenzyl-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0238 |
| Compound Name: | 3,6-dibenzyl-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 495.68 |
| Molecular Formula: | C25 H25 N3 O2 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1Cc1ccccc1)=O)SC(N2Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9872 |
| logD: | 5.9872 |
| logSw: | -5.4695 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 41.696 |
| InChI Key: | GFJBFWQXZUWCJE-UHFFFAOYSA-N |