(1-{[(2S)-4,4-difluoro-1-(1H-indole-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-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-1017 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C21 H22 F2 N6 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(c2cccc3c2cc[nH]3)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8848 |
| logD: | 1.8848 |
| logSw: | -2.6501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.141 |
| InChI Key: | TUMWMVAJZWSVEM-CQSZACIVSA-N |