(2S,4S)-N-(3-methylbutyl)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-N-(3-methylbutyl)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
(2S,4S)-N-(3-methylbutyl)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB29-0594 |
| Compound Name: | (2S,4S)-N-(3-methylbutyl)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C21 H31 N5 O2 |
| Smiles: | CC(C)CCNC(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OCc1cccc(C)c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0808 |
| logD: | 4.0794 |
| logSw: | -4.1841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.275 |
| InChI Key: | XTONQWFVARUERW-MOPGFXCFSA-N |