1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-(3-methoxyphenyl)ethan-1-one
1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T501-0603 |
| Compound Name: | 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | COc1cccc(CC(N2CCCC(Cc3nncn3CC3CC3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6488 |
| logD: | 2.6487 |
| logSw: | -2.7847 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.421 |
| InChI Key: | BYNQWJWNWGEPFZ-GOSISDBHSA-N |