N-[4-(diethylamino)-2-methylphenyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-[4-(diethylamino)-2-methylphenyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0398 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 466.62 |
| Molecular Formula: | C27 H38 N4 O3 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3608 |
| logD: | 4.1514 |
| logSw: | -4.1766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.547 |
| InChI Key: | YUNWYCQIBBPPTN-UHFFFAOYSA-N |