2-(3-methoxyphenyl)-1-[(2S)-2-{[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-[(2S)-2-{[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
2-(3-methoxyphenyl)-1-[(2S)-2-{[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB20-0648 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[(2S)-2-{[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | COc1cccc(CC(N2CCC[C@H]2Cn2cc(C(N3CCCCC3)=O)nn2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0065 |
| logD: | 2.0065 |
| logSw: | -2.0694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.077 |
| InChI Key: | LDCQEKZVMXEKGK-SFHVURJKSA-N |