methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-1998 |
| Compound Name: | methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | CC1(C)CC(=C(C(CCC(=O)OC)=O)C(C1)=O)NCCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.617 |
| logD: | 2.5057 |
| logSw: | -2.8905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.671 |
| InChI Key: | ZNRQRYCEHHEWKV-UHFFFAOYSA-N |