ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](3,5-dimethyl-1,2-oxazole-4-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](3,5-dimethyl-1,2-oxazole-4-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](3,5-dimethyl-1,2-oxazole-4-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F348-0486 |
| Compound Name: | ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](3,5-dimethyl-1,2-oxazole-4-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C23 H27 N3 O7 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2c(C)noc2C)(=O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9283 |
| logD: | 2.9283 |
| logSw: | -3.4135 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.726 |
| InChI Key: | AYNMPLDPYLTONH-UHFFFAOYSA-N |