5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0370 |
| Compound Name: | 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 411.56 |
| Molecular Formula: | C20 H17 N3 O S3 |
| Smiles: | Cc1ccc(C)c(CSC2NC(C3=C(N=2)N(C(=S)S3)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.994 |
| logD: | 4.993 |
| logSw: | -4.5613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.296 |
| InChI Key: | VSXJDPIIHGFBMU-UHFFFAOYSA-N |