ethyl 3-(2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0846 |
| Compound Name: | ethyl 3-(2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C23 H23 N3 O6 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSC1NC(C(=CN=1)S(c1ccc(C)cc1C)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6405 |
| logD: | 1.9988 |
| logSw: | -3.7387 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.894 |
| InChI Key: | GNHUKBOPVODRBD-UHFFFAOYSA-N |