methyl 3-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 3-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamamido]benzoate
methyl 3-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | L604-0817 |
| Compound Name: | methyl 3-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamamido]benzoate |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C25 H20 N4 O6 |
| Smiles: | COC(c1cccc(c1)NC(Nc1cccc(c1)c1nnc(Cc2ccc3c(c2)OCO3)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2711 |
| logD: | 5.2711 |
| logSw: | -5.3448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.741 |
| InChI Key: | CCUOBMZDZAIBRX-UHFFFAOYSA-N |