4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0313 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(3,4,5-trimethoxyphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C25 H33 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6656 |
| logD: | 2.6636 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.486 |
| InChI Key: | CFCCZBVJWAKQPU-UHFFFAOYSA-N |