5-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0340 |
| Compound Name: | 5-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C17 H14 N6 O4 S3 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CNS(c2cccc3c2nsn3)(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4918 |
| logD: | 1.0865 |
| logSw: | -2.8832 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.584 |
| InChI Key: | CTHLZIOAVTYUSP-UHFFFAOYSA-N |