4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-cyclooctylbenzamide
Chemical Structure Depiction of
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-cyclooctylbenzamide
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-cyclooctylbenzamide
Compound characteristics
| Compound ID: | C852-0543 |
| Compound Name: | 4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-cyclooctylbenzamide |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C26 H35 N3 O3 |
| Smiles: | C1CCCC(CCC1)NC(c1ccc(CNC2=C(C(C2=O)=O)NC2CCCCC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4156 |
| logD: | 4.4074 |
| logSw: | -4.3431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.117 |
| InChI Key: | NKYKWWUTFHGPGG-UHFFFAOYSA-N |