ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(oxolan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(oxolan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(oxolan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0314 |
| Compound Name: | ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(oxolan-2-yl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C21 H26 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(CN(CC2CCCO2)S(c2cccc3c2nsn3)(=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1629 |
| logD: | 3.1629 |
| logSw: | -3.2772 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.685 |
| InChI Key: | GSHXMQHWGFYWTI-OAHLLOKOSA-N |