2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | F092-0277 |
| Compound Name: | 2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C24 H24 N4 O2 S3 |
| Smiles: | CC(CCc1ccccc1)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3396 |
| logD: | 4.338 |
| logSw: | -4.2886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.908 |
| InChI Key: | WEQJAVXVYDXHSZ-INIZCTEOSA-N |