2-methyl-5-{1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-{1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-{1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1352 |
| Compound Name: | 2-methyl-5-{1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C23 H29 N5 O4 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2c(COc3ccccc3)c(C)on2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0682 |
| logD: | 3.062 |
| logSw: | -3.0133 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.196 |
| InChI Key: | SSXVNVZZDGNQCT-UHFFFAOYSA-N |