N-[2-(3-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-[2-(3-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0604 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C27 H37 N3 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(NCCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3471 |
| logD: | 4.3466 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.306 |
| InChI Key: | WIOZWSGWUVNFRB-UHFFFAOYSA-N |