N-benzyl-1-{[(2S)-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0228 |
| Compound Name: | N-benzyl-1-{[(2S)-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H25 F N6 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.262 |
| logD: | 2.262 |
| logSw: | -2.4128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.968 |
| InChI Key: | RXADMVYAKDXTNC-FQEVSTJZSA-N |