3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | K906-3538 |
| Compound Name: | 3-[({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 478.64 |
| Molecular Formula: | C28 H38 N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6803 |
| logD: | 4.6799 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.025 |
| InChI Key: | DEYHVZGQYIRHJG-UHFFFAOYSA-N |