ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(furan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(furan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(furan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0107 |
| Compound Name: | ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(furan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccco2)S(c2cccc3c2nsn3)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9736 |
| logD: | 3.9736 |
| logSw: | -3.9807 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.779 |
| InChI Key: | YLVPVWPDGMWRHT-UHFFFAOYSA-N |