N-(2,3-dimethylcyclohexyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
N-(2,3-dimethylcyclohexyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C906-0142 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | CC1CCCC(C1C)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8983 |
| logD: | 2.8929 |
| logSw: | -3.5326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.753 |
| InChI Key: | SEELQJUJVVLPBN-UHFFFAOYSA-N |