2-{[5-(2,5-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2,5-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[5-(2,5-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C716-0258 |
| Compound Name: | 2-{[5-(2,5-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(CSC1NC(C(=CN=1)S(c1cc(C)ccc1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1028 |
| logD: | 1.4611 |
| logSw: | -3.2252 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | JAUXSFKPGKKLAB-UHFFFAOYSA-N |