ethyl 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)(2-phenylethyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)(2-phenylethyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)(2-phenylethyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0381 |
| Compound Name: | ethyl 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)(2-phenylethyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C24 H26 N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c(CN(CCc2ccccc2)S(c2cccc3c2nsn3)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8154 |
| logD: | 4.8154 |
| logSw: | -4.5459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.008 |
| InChI Key: | JYYDAXNKMQPUHK-UHFFFAOYSA-N |