5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2196 |
| Compound Name: | 5-{1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | COc1cccc(CCC(N2CCC(CC2)C2=NNC(N2c2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2738 |
| logD: | 3.2506 |
| logSw: | -3.4678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.8 |
| InChI Key: | GVMQATJYSIVMDB-UHFFFAOYSA-N |