2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | F092-0546 |
| Compound Name: | 2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C23 H22 N4 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0475 |
| logD: | 5.0459 |
| logSw: | -4.5193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.445 |
| InChI Key: | FYQYDMTWKRDUKI-UHFFFAOYSA-N |