AC1MQF75
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: Oprea1_026141|MLS-0437601.0001|F0507-0061|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H18Cl2N6O2S2 |
|---|---|
| Molecular Weight | 568.03094 g/mol |
| LogP | 5.8446 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.03094 |
| Monoisotopic Mass | 568.03094 |
| Heavy Atoms | 37 |
| Complexity | 1555.927 |
Chemical Identifiers
| CAS Number | 391897-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AC1MQF75 (CAS 391897-49-7), with molecular formula C25H18Cl2N6O2S2 and molecular weight 568.03094 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide.
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