4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(2,4-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(2,4-dimethoxyphenyl)benzamide
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(2,4-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | C852-0548 |
| Compound Name: | 4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-(2,4-dimethoxyphenyl)benzamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | COc1ccc(c(c1)OC)NC(c1ccc(CNC2=C(C(C2=O)=O)NC2CCCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3687 |
| logD: | 3.3605 |
| logSw: | -3.7228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.215 |
| InChI Key: | YACNRIFRYAZIOV-UHFFFAOYSA-N |