ethyl 5-(3-{[6-(methoxycarbonyl)-2H-1,3-benzodioxol-5-yl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-{[6-(methoxycarbonyl)-2H-1,3-benzodioxol-5-yl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-(3-{[6-(methoxycarbonyl)-2H-1,3-benzodioxol-5-yl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1230 |
| Compound Name: | ethyl 5-(3-{[6-(methoxycarbonyl)-2H-1,3-benzodioxol-5-yl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C21 H24 N2 O7 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2cc3c(cc2C(=O)OC)OCO3)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6454 |
| logD: | 2.1275 |
| logSw: | -2.897 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.938 |
| InChI Key: | ISBSYKKQWMNQKP-UHFFFAOYSA-N |