(1-{[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0530 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C22 H29 F2 N5 O2 |
| Smiles: | CC(C)Oc1ccc(CN2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8206 |
| logD: | 2.8205 |
| logSw: | -2.9388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.412 |
| InChI Key: | ZMIROTRTWLZTKS-GOSISDBHSA-N |