methyl 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-(2,6-dioxo-4-phenylcyclohexylidene)butanoate
Chemical Structure Depiction of
methyl 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-(2,6-dioxo-4-phenylcyclohexylidene)butanoate
methyl 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-(2,6-dioxo-4-phenylcyclohexylidene)butanoate
Compound characteristics
Compound ID: | 8016-2385 |
Compound Name: | methyl 4-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4-(2,6-dioxo-4-phenylcyclohexylidene)butanoate |
Molecular Weight: | 445.52 |
Molecular Formula: | C26 H27 N3 O4 |
Smiles: | COC(CCC(=C1C(CC(CC1=O)c1ccccc1)=O)NCCc1nc2ccccc2[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 4.0189 |
logD: | 3.9805 |
logSw: | -4.2692 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.096 |
InChI Key: | ITNZSPRIANUTIC-UHFFFAOYSA-N |