4-(3,4-dichlorophenyl)-N-{(2S)-1-oxo-1-[(4H-1,2,4-triazol-3-yl)amino]propan-2-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-N-{(2S)-1-oxo-1-[(4H-1,2,4-triazol-3-yl)amino]propan-2-yl}piperazine-1-carboxamide
4-(3,4-dichlorophenyl)-N-{(2S)-1-oxo-1-[(4H-1,2,4-triazol-3-yl)amino]propan-2-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y044-5239 |
| Compound Name: | 4-(3,4-dichlorophenyl)-N-{(2S)-1-oxo-1-[(4H-1,2,4-triazol-3-yl)amino]propan-2-yl}piperazine-1-carboxamide |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C16 H19 Cl2 N7 O2 |
| Smiles: | C[C@@H](C(Nc1nnc[nH]1)=O)NC(N1CCN(CC1)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5003 |
| logD: | 1.4727 |
| logSw: | -2.6874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.653 |
| InChI Key: | NBNPDBVFDIOJHH-JTQLQIEISA-N |