N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0343 |
| Compound Name: | N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C24 H29 N3 O4 |
| Smiles: | CC(c1cccc(c1)NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0259 |
| logD: | 3.0252 |
| logSw: | -3.2251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.335 |
| InChI Key: | DOKXGFBDDXIPDB-UHFFFAOYSA-N |