methyl 4-chloro-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
methyl 4-chloro-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D034-0281 |
| Compound Name: | methyl 4-chloro-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate |
| Molecular Weight: | 408.81 |
| Molecular Formula: | C17 H13 Cl N2 O6 S |
| Smiles: | COC(c1ccc(c(c1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9379 |
| logD: | 1.9376 |
| logSw: | -3.3617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.809 |
| InChI Key: | SOAJZMSOXQTPNE-UHFFFAOYSA-N |