AC1NX1MO
2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
Also Known As: BAS 10189263|2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)acetamide|2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide|2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide|2-{[4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide|2-{[5-(2-HYDROXYPHENYL)-4-(PROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)ACETAMIDE|2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.11612 g/mol |
| LogP | 2.7371 |
| Topological Polar Surface Area | 128.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.11612 |
| Monoisotopic Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1289.1816 |
Chemical Identifiers
| CAS Number | 831206-11-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=CC=C4O |
Product Overview
AC1NX1MO (CAS 831206-11-2), with molecular formula C20H18N6O3S and molecular weight 422.11612 g/mol. IUPAC: 2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
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