ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-propylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-propylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-propylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0473 |
| Compound Name: | ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-propylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 512.62 |
| Molecular Formula: | C27 H32 N2 O6 S |
| Smiles: | CCCc1ccc(cc1)S(N(Cc1ccc2c(c1)OCO2)Cc1c(C)c(C(=O)OCC)[nH]c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9453 |
| logD: | 5.9453 |
| logSw: | -5.5182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.193 |
| InChI Key: | SAJNLVPDWIKIFW-UHFFFAOYSA-N |