2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C716-0865 |
| Compound Name: | 2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 510 |
| Molecular Formula: | C22 H21 Cl F N3 O4 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CN=C(NC1=O)SCC(Nc1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5431 |
| logD: | 2.9014 |
| logSw: | -4.6174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | MYNHZIBSIZNSMC-UHFFFAOYSA-N |