3-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0222 |
| Compound Name: | 3-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-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: | Cc1cccc(CSC2NC(C3=C(N=2)N(C(=S)S3)c2ccccc2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9627 |
| logD: | 4.9617 |
| logSw: | -4.6169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.995 |
| InChI Key: | XYCWZRLNZYCXOJ-UHFFFAOYSA-N |