methyl 3-{[2-methoxy-5-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-methoxy-5-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
methyl 3-{[2-methoxy-5-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | D470-0295 |
| Compound Name: | methyl 3-{[2-methoxy-5-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C18 H18 N2 O8 S2 |
| Smiles: | COC(c1cccc(c1)NS(c1cc(ccc1OC)N1C(CCS1(=O)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4216 |
| logD: | 1.3362 |
| logSw: | -2.5394 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.109 |
| InChI Key: | QBYPDCOMNDBGDP-UHFFFAOYSA-N |