5-{1-[(azepan-1-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(azepan-1-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(azepan-1-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1360 |
| Compound Name: | 5-{1-[(azepan-1-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C19 H33 N5 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(CN2CCCCCC2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.956 |
| logD: | 1.3833 |
| logSw: | -1.9871 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.545 |
| InChI Key: | GEDKMIKPXNUZHL-UHFFFAOYSA-N |