methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-1999 |
| Compound Name: | methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | COC(CCC(C1=C(CCCC1=O)NCCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0114 |
| logD: | 1.954 |
| logSw: | -2.3126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.671 |
| InChI Key: | GIZRZQGBDLMEMA-UHFFFAOYSA-N |