5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0031 |
| Compound Name: | 5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3ccc(cc3)C(C)(C)C)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5014 |
| logD: | 5.5008 |
| logSw: | -5.3316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | GTTBZRWBMKLNKK-UHFFFAOYSA-N |