ethyl 4-{[4-(phenylacetyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(phenylacetyl)piperazine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(phenylacetyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8018-9720 |
| Compound Name: | ethyl 4-{[4-(phenylacetyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)C(Cc1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -3.9783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.819 |
| InChI Key: | KHBJEXPTBGMZIP-UHFFFAOYSA-N |