N-benzyl-1-{[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0799 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H23 F2 N7 O2 |
| Smiles: | CCn1c(ccn1)C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3407 |
| logD: | 1.3407 |
| logSw: | -1.8738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.848 |
| InChI Key: | GEDDPZMTHRXWTB-MRXNPFEDSA-N |