1-[(5-bromofuran-2-yl)methyl]-4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
Chemical Structure Depiction of
1-[(5-bromofuran-2-yl)methyl]-4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
1-[(5-bromofuran-2-yl)methyl]-4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
Compound characteristics
| Compound ID: | T630-0183 |
| Compound Name: | 1-[(5-bromofuran-2-yl)methyl]-4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine |
| Molecular Weight: | 325.21 |
| Molecular Formula: | C13 H17 Br N4 O |
| Smiles: | Cc1nnc(C2CCN(CC2)Cc2ccc(o2)[Br])[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.7027 |
| logD: | 1.212 |
| logSw: | -2.1581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.465 |
| InChI Key: | YDMNXKAPNWKBSX-UHFFFAOYSA-N |