2,5-dimethyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0189 |
| Compound Name: | 2,5-dimethyl-4-{1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 306.43 |
| Molecular Formula: | C15 H22 N4 O S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1c(C)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5592 |
| logD: | 1.9494 |
| logSw: | -2.4039 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.913 |
| InChI Key: | NZXFDXVZIGQVRP-UHFFFAOYSA-N |