5-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]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-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1324 |
| Compound Name: | 5-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(CCc2nc3ccccc3s2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2645 |
| logD: | 3.2583 |
| logSw: | -3.3094 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.425 |
| InChI Key: | XNPQNOHIXOOKMG-UHFFFAOYSA-N |