AC1MHBUP
3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
Also Known As: NCGC00275776-01|AB01254326-02|3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide|3-[3-(4-fluorophenyl)(1H-1,2,4-triazol-5-ylthio)]-3-(4-methoxyphenyl)-N-(3-pyr idylmethyl)propanamide|3-{[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
| Molecular Formula | C24H22FN5O2S |
|---|---|
| Molecular Weight | 463.14783 g/mol |
| LogP | 4.5543 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.14783 |
| Monoisotopic Mass | 463.14783 |
| Heavy Atoms | 33 |
| Complexity | 1183.7273 |
Chemical Identifiers
| CAS Number | 690248-69-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)NCC2=CN=CC=C2)SC3=NNC(=N3)C4=CC=C(C=C4)F |
Product Overview
AC1MHBUP (CAS 690248-69-2), with molecular formula C24H22FN5O2S and molecular weight 463.14783 g/mol. IUPAC: 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
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