3-{(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0593 |
| Compound Name: | 3-{(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)S(c2c(C)noc2C)(=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3742 |
| logD: | 2.3728 |
| logSw: | -2.7097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.897 |
| InChI Key: | GVWGPWFCIZGGBK-MSOLQXFVSA-N |