2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | Y041-0423 |
| Compound Name: | 2-chloro-4-(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)c1ccc(C(O)=O)c(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6337 |
| logD: | -1.6777 |
| logSw: | -2.7738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.316 |
| InChI Key: | LUIBZWXZBWILST-UHFFFAOYSA-N |