AC1MDAQW
2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
Also Known As: IFLab1_004216|Oprea1_140613|SR-01000475453-1|F0894-0235|2-{[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid|2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetic acid|2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07114 g/mol |
| LogP | 3.90058 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.07114 |
| Monoisotopic Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 989.4582 |
Chemical Identifiers
| CAS Number | 201273-71-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)O)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 |
Product Overview
AC1MDAQW (CAS 201273-71-4), with molecular formula C20H17N3O3S2 and molecular weight 411.07114 g/mol. IUPAC: 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid.
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