ethyl 4-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]-3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]-3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
ethyl 4-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]-3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | V008-6960 |
| Compound Name: | ethyl 4-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]-3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C31 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(c(c1)NC(C12CCC(C)(C(=O)O2)C1(C)C)=O)n1c2ccccc2nc1c1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4242 |
| logD: | 5.2442 |
| logSw: | -5.3295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.935 |
| InChI Key: | IEXMFTDTMPOZNT-FSRLHOSWSA-N |