N-(3-chloro-4-methoxyphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0374 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C23 H28 Cl N3 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7957 |
| logD: | 3.7939 |
| logSw: | -4.2411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.138 |
| InChI Key: | CGNDNRWWNQCEEG-UHFFFAOYSA-N |