4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0395 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | Cc1ccc(c(c1)NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4205 |
| logD: | 3.4201 |
| logSw: | -3.5046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.441 |
| InChI Key: | CNPDYBXXKGFNTF-UHFFFAOYSA-N |