5-{1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2144 |
| Compound Name: | 5-{1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C22 H21 Cl N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(/C=C/c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9777 |
| logD: | 3.9544 |
| logSw: | -4.7442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | CYTQGRUFHJGPDQ-UHFFFAOYSA-N |