methyl 4-(2-{[(1H-benzimidazol-2-yl)methyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(2-{[(1H-benzimidazol-2-yl)methyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
methyl 4-(2-{[(1H-benzimidazol-2-yl)methyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-2005 |
| Compound Name: | methyl 4-(2-{[(1H-benzimidazol-2-yl)methyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | COC(CCC(C1=C(CCCC1=O)NCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9579 |
| logD: | 0.8905 |
| logSw: | -2.2112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.829 |
| InChI Key: | WKPHCWPHSFJYEK-UHFFFAOYSA-N |