N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S334-0164 |
| Compound Name: | N-(2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C23 H18 N4 O6 |
| Smiles: | C(Cn1cccc1c1nc(c2ccc3c(c2)OCO3)no1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0217 |
| logD: | 4.0217 |
| logSw: | -4.1959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.969 |
| InChI Key: | BSPHQUPKVFXHLA-UHFFFAOYSA-N |