ethyl 1-{2-[({4-[(4-methylphenyl)carbamoyl]phenyl}methyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[({4-[(4-methylphenyl)carbamoyl]phenyl}methyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
ethyl 1-{2-[({4-[(4-methylphenyl)carbamoyl]phenyl}methyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K906-2235 |
| Compound Name: | ethyl 1-{2-[({4-[(4-methylphenyl)carbamoyl]phenyl}methyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C27 H29 N3 O5 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4218 |
| logD: | 3.4164 |
| logSw: | -3.3091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.704 |
| InChI Key: | IXVQXNCWDZYIKS-UHFFFAOYSA-N |