N-[4-(cyanomethyl)phenyl]-4-(3-{[(4-methoxyphenyl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(3-{[(4-methoxyphenyl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
N-[4-(cyanomethyl)phenyl]-4-(3-{[(4-methoxyphenyl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V003-7324 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(3-{[(4-methoxyphenyl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 484.56 |
| Molecular Formula: | C27 H28 N6 O3 |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(Nc1ccc(CC#N)cc1)=O)c1c(cccn1)C(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9543 |
| logD: | 2.9539 |
| logSw: | -3.6733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.398 |
| InChI Key: | MCAJRFWTKLZPTA-UHFFFAOYSA-N |