2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G605-0182 |
| Compound Name: | 2-{[5-(3-chloro-4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 492.01 |
| Molecular Formula: | C22 H22 Cl N3 O4 S2 |
| Smiles: | CCN(C(CSC1NC(C(=CN=1)S(c1ccc(C)c(c1)[Cl])(=O)=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9681 |
| logD: | 2.3264 |
| logSw: | -4.2057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.082 |
| InChI Key: | GPTNQELZNZLXEL-UHFFFAOYSA-N |