N-benzyl-1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1715 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H26 F N7 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3561 |
| logD: | 1.356 |
| logSw: | -2.1187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.684 |
| InChI Key: | SRUBQJNXWJPHIZ-ZWKOTPCHSA-N |