AC1MUPA4
N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
Also Known As: F0721-0178|N-((4-(4-bromophenyl)-5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide|N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide|N-{[4-(4-bromophenyl)-5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
| Molecular Formula | C23H22BrN7O3S3 |
|---|---|
| Molecular Weight | 619.01294 g/mol |
| LogP | 4.6627 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 619.01294 |
| Monoisotopic Mass | 619.01294 |
| Heavy Atoms | 37 |
| Complexity | 1378.1793 |
Chemical Identifiers
| CAS Number | 393840-95-4 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=CC=CC=C4OC |
Product Overview
AC1MUPA4 (CAS 393840-95-4), with molecular formula C23H22BrN7O3S3 and molecular weight 619.01294 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide.
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