1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0978 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C18 H17 F N6 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(c1c2ccccc2ccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.528 |
| logD: | 0.528 |
| logSw: | -1.8091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.951 |
| InChI Key: | QVIIIUBJPZGJLT-QWHCGFSZSA-N |