5-cyclopropyl-2-methyl-4-{1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-2-methyl-4-{1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-2-methyl-4-{1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0510 |
| Compound Name: | 5-cyclopropyl-2-methyl-4-{1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 332.47 |
| Molecular Formula: | C17 H24 N4 O S |
| Smiles: | Cc1ccc(CN2CCC(CC2)N2C(C3CC3)=NN(C)C2=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4155 |
| logD: | 1.676 |
| logSw: | -3.4624 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.4 |
| InChI Key: | DXRSZWSBMNOSDH-UHFFFAOYSA-N |