N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-[(propan-2-yl)oxy]benzamide
Chemical Structure Depiction of
N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-[(propan-2-yl)oxy]benzamide
N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-[(propan-2-yl)oxy]benzamide
Compound characteristics
| Compound ID: | IB05-5799 |
| Compound Name: | N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-[(propan-2-yl)oxy]benzamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1)C(NC(Nc1ccc(cc1)N1CCN(CC1)C(C)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.59 |
| logD: | 3.59 |
| logSw: | -4.51 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 158.38 |
| InChI Key: | MLOOPEQJQYWDHD-UHFFFAOYSA-N |