N-benzyl-1-{[(2S)-1-(4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0225 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H22 F N5 O3 S |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.372 |
| logD: | 2.372 |
| logSw: | -2.613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.665 |
| InChI Key: | VTMSAQVPPOZLLP-SFHVURJKSA-N |