ethyl 3-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0675 |
| Compound Name: | ethyl 3-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 538 |
| Molecular Formula: | C22 H20 Cl N3 O7 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSC1NC(C(=CN=1)S(c1ccc(c(c1)[Cl])OC)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9411 |
| logD: | 1.2994 |
| logSw: | -3.6798 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.524 |
| InChI Key: | XEYMTSDWXXTLFO-UHFFFAOYSA-N |