N-[2-(4-chlorophenyl)ethyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0268 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 443.97 |
| Molecular Formula: | C24 H30 Cl N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7422 |
| logD: | 3.7418 |
| logSw: | -4.3019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.672 |
| InChI Key: | OUHKEYNASPQVHZ-UHFFFAOYSA-N |