ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0514 |
| Compound Name: | ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-cyanobenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2cccc(C#N)c2)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1809 |
| logD: | 4.1809 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.249 |
| InChI Key: | SRYOVWCYQSNFPD-UHFFFAOYSA-N |