1-{[(2S,4S)-4-fluoro-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1103 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(4-propoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C19 H26 F N5 O4 S |
| Smiles: | CCCOc1ccc(cc1)S(N1C[C@H](C[C@H]1Cn1cc(C(N(C)C)=O)nn1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2458 |
| logD: | 1.2458 |
| logSw: | -2.3443 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.604 |
| InChI Key: | ADMLZJNHMFJDEX-CABCVRRESA-N |