ethyl 5-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1195 |
| Compound Name: | ethyl 5-{3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C21 H24 N2 O6 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2cc3c(cc2C(C)=O)OCO3)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3586 |
| logD: | 2.2082 |
| logSw: | -2.8746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.591 |
| InChI Key: | ANKSUFGARVBBJM-UHFFFAOYSA-N |