methyl 4-(5-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-yl)-4-oxobutanoate
methyl 4-(5-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-2392 |
| Compound Name: | methyl 4-(5-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-4-yl)-4-oxobutanoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | COC(CCC(C1=C(CC(CC1=O)c1ccccc1)NCCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9375 |
| logD: | 3.781 |
| logSw: | -4.2226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.399 |
| InChI Key: | AIDVCDDXAQKAGS-SFHVURJKSA-N |