ethyl 4-({[(furan-2-yl)methyl](7-methyl-2,1,3-benzothiadiazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(furan-2-yl)methyl](7-methyl-2,1,3-benzothiadiazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(furan-2-yl)methyl](7-methyl-2,1,3-benzothiadiazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0095 |
| Compound Name: | ethyl 4-({[(furan-2-yl)methyl](7-methyl-2,1,3-benzothiadiazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccco2)S(c2ccc(C)c3c2nsn3)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5058 |
| logD: | 4.5058 |
| logSw: | -4.1531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.549 |
| InChI Key: | LKIMILNFJJXMRE-UHFFFAOYSA-N |