4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
Chemical Structure Depiction of
4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | Y041-0428 |
| Compound Name: | 4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid |
| Molecular Weight: | 289.73 |
| Molecular Formula: | C11 H12 Cl N O4 S |
| Smiles: | C1CCS(N(C1)c1cc(ccc1[Cl])C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7939 |
| logD: | -0.6151 |
| logSw: | -2.8069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.015 |
| InChI Key: | RIXSJOHKJMEPTD-UHFFFAOYSA-N |