1-{[(2S,4S)-4-fluoro-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1369 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C16 H17 F N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1C[C@H](C[C@H]1Cn1cc(C(N)=O)nn1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2458 |
| logD: | -0.2458 |
| logSw: | -2.1456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.11 |
| InChI Key: | KIZNGPIVTJLUMH-ZJUUUORDSA-N |