5-cyclopropyl-2-methyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-2-methyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-2-methyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0383 |
| Compound Name: | 5-cyclopropyl-2-methyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCC(CC2)N2C(C3CC3)=NN(C)C2=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1999 |
| logD: | 3.1956 |
| logSw: | -3.0684 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.316 |
| InChI Key: | GPMAAQUVBKCTLY-UHFFFAOYSA-N |