N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | C906-0117 |
| Compound Name: | N-(3-acetylphenyl)-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCCC2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5482 |
| logD: | 2.5427 |
| logSw: | -2.9256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.143 |
| InChI Key: | XBBITYIZKNGEMX-UHFFFAOYSA-N |