N-benzyl-1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1007 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(5-chloro-2-fluorobenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C22 H21 Cl F N5 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(c1cc(ccc1F)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1505 |
| logD: | 3.1505 |
| logSw: | -3.7679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.826 |
| InChI Key: | KUNZZONWLKBXNQ-KRWDZBQOSA-N |