2-[(4-chlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
2-[(4-chlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Compound characteristics
| Compound ID: | S364-0037 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid |
| Molecular Weight: | 314.74 |
| Molecular Formula: | C12 H11 Cl N2 O4 S |
| Smiles: | CC1C(=CN(Cc2ccc(cc2)[Cl])S(N=1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7566 |
| logD: | -4.9244 |
| logSw: | -2.4117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.907 |
| InChI Key: | QSQDMVIOGFSQQB-UHFFFAOYSA-N |