(1-{[(2S,4S)-1-(2,3-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-1-(2,3-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-1-(2,3-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1137 |
| Compound Name: | (1-{[(2S,4S)-1-(2,3-dimethoxybenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H26 F N5 O4 |
| Smiles: | COc1cccc(C(N2C[C@H](C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)F)=O)c1OC |
| Stereo: | ABSOLUTE |
| logP: | 1.3862 |
| logD: | 1.3862 |
| logSw: | -1.8896 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.707 |
| InChI Key: | PHJYBWOIVPMARF-LSDHHAIUSA-N |