ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | K906-1251 |
| Compound Name: | ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C18 H18 N4 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN(C)S(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1512 |
| logD: | 3.1504 |
| logSw: | -3.3089 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.658 |
| InChI Key: | SZHNDUHCJSJXTR-UHFFFAOYSA-N |