ethyl 4-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 4777-0452 |
| Compound Name: | ethyl 4-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C16 H23 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)CCO)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1872 |
| logD: | 1.834 |
| logSw: | -2.6489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.336 |
| InChI Key: | LAIKYBPGJIDSCG-UHFFFAOYSA-N |