4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]benzamide
4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C852-0629 |
| Compound Name: | 4-({[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | C1CCC(CC1)NC1=C(C(C1=O)=O)NCc1ccc(cc1)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0662 |
| logD: | 3.058 |
| logSw: | -3.4163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.079 |
| InChI Key: | KRHONGQLTRYRNQ-UHFFFAOYSA-N |