5-methyl-3-{(2S,4S)-4-[(3-methylphenyl)methoxy]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
5-methyl-3-{(2S,4S)-4-[(3-methylphenyl)methoxy]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl}-1H-1,2,4-triazole
5-methyl-3-{(2S,4S)-4-[(3-methylphenyl)methoxy]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0537 |
| Compound Name: | 5-methyl-3-{(2S,4S)-4-[(3-methylphenyl)methoxy]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(Cc3c(C)ncs3)C2)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.2503 |
| logD: | 3.2451 |
| logSw: | -3.2782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.474 |
| InChI Key: | OVSHBIODBBCQMV-MSOLQXFVSA-N |