1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S517-0375 |
| Compound Name: | 1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | COc1ccc(CCC(N2CCC(CC2)Cc2nncn2CC2CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8797 |
| logD: | 2.8794 |
| logSw: | -3.166 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.487 |
| InChI Key: | ZXQNHNCZDITLGI-UHFFFAOYSA-N |