(1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-carbonyl)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-(1-methyl-1H-imidazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0587 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C17 H21 F2 N7 O2 |
| Smiles: | Cn1cc(C(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)nc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.0831 |
| logD: | 0.0831 |
| logSw: | -0.7797 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.996 |
| InChI Key: | NHQXTZSJTNYJPV-GFCCVEGCSA-N |