ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-methylbenzene-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-methylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-methylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0508 |
| Compound Name: | ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](3-methylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2cccc(C)c2)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9649 |
| logD: | 4.9649 |
| logSw: | -4.6887 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.193 |
| InChI Key: | YKGKEBVRUOLFFP-UHFFFAOYSA-N |