2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(thiophen-2-yl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(thiophen-2-yl)cyclohexane-1,3-dione
2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(thiophen-2-yl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4779-0105 |
| Compound Name: | 2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(thiophen-2-yl)cyclohexane-1,3-dione |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CCC(N1CCN(CCNC=C2C(CC(CC2=O)c2cccs2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7524 |
| logD: | 0.6603 |
| logSw: | -2.179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.558 |
| InChI Key: | WULRHMSUMDVEQB-UHFFFAOYSA-N |