methyl 4-methoxy-3-{[4-(methylsulfanyl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-{[4-(methylsulfanyl)benzene-1-sulfonyl]amino}benzoate
methyl 4-methoxy-3-{[4-(methylsulfanyl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | 8018-0333 |
| Compound Name: | methyl 4-methoxy-3-{[4-(methylsulfanyl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 367.44 |
| Molecular Formula: | C16 H17 N O5 S2 |
| Smiles: | COC(c1ccc(c(c1)NS(c1ccc(cc1)SC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6718 |
| logD: | 2.9664 |
| logSw: | -4.0391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.994 |
| InChI Key: | XLOKFLVSPQNPRT-UHFFFAOYSA-N |