methyl 4-chloro-3-{[4-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-{[4-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
methyl 4-chloro-3-{[4-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | D445-0127 |
| Compound Name: | methyl 4-chloro-3-{[4-(1,1,3-trioxo-1lambda~6~,2-thiazolidin-2-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 458.89 |
| Molecular Formula: | C17 H15 Cl N2 O7 S2 |
| Smiles: | COC(c1ccc(c(c1)NS(c1ccc(cc1)N1C(CCS1(=O)=O)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7655 |
| logD: | 1.3657 |
| logSw: | -3.0043 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.781 |
| InChI Key: | JIDSWDWTRRGABD-UHFFFAOYSA-N |