1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB21-1192 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H28 F N5 O3 |
| Smiles: | COc1cccc(CCC(N2C[C@H](C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)F)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0008 |
| logD: | 2.0008 |
| logSw: | -2.0646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.376 |
| InChI Key: | QQHFLQZEPHXOHD-ZWKOTPCHSA-N |