N-[4-(cyanomethyl)phenyl]-4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-carboxamide
N-[4-(cyanomethyl)phenyl]-4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V009-6738 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-carboxamide |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C30 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)C(Nc1ccc(CC#N)cc1)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3928 |
| logD: | 3.3558 |
| logSw: | -3.7361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.22 |
| InChI Key: | HNEARZXZURNXGM-LJAQVGFWSA-N |