5-cyclopropyl-4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0500 |
| Compound Name: | 5-cyclopropyl-4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | Cc1cc(CN2CCC(CC2)N2C(C3CC3)=NN(C)C2=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4309 |
| logD: | 2.439 |
| logSw: | -3.451 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.012 |
| InChI Key: | MITHMCNBDTZCGD-UHFFFAOYSA-N |