ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(4-chlorophenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(4-chlorophenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(4-chlorophenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0438 |
| Compound Name: | ethyl 4-({(2,1,3-benzothiadiazole-4-sulfonyl)[(4-chlorophenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C23 H23 Cl N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(cc2)[Cl])S(c2cccc3c2nsn3)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.183 |
| logD: | 5.183 |
| logSw: | -5.5175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.03 |
| InChI Key: | DYFAHWDTRLJABX-UHFFFAOYSA-N |