N-[(4-methylphenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0254 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C22 H20 N4 O2 S3 |
| Smiles: | Cc1ccc(CNC(CSC2NC(C3=C(N=2)N(C(=S)S3)c2ccccc2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8187 |
| logD: | 3.8171 |
| logSw: | -4.0233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.467 |
| InChI Key: | REKZHUIDTIEYKT-UHFFFAOYSA-N |