methyl 2-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C716-0659 |
| Compound Name: | methyl 2-(2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 523.97 |
| Molecular Formula: | C21 H18 Cl N3 O7 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1NC(C(=CN=1)S(c1ccc(c(c1)[Cl])OC)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8837 |
| logD: | 0.2419 |
| logSw: | -3.1972 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.247 |
| InChI Key: | LLPGDACUVRNPDZ-UHFFFAOYSA-N |