AC1NLPI0
2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid|{[5-(aminocarbonyl)-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio}acetic acid|SR-01000062014-1|2-[[5-carbamoyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic Acid|{[5-Carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid|2-[[5-(Aminocarbonyl)-3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-2-pyridinyl]thio]acetic acid|2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid|2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}aceticacid
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06268 g/mol |
| LogP | 1.27868 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.06268 |
| Monoisotopic Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 712.9465 |
Chemical Identifiers
| CAS Number | 851175-97-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)N |
Product Overview
AC1NLPI0 (CAS 851175-97-8), with molecular formula C14H13N3O4S and molecular weight 319.06268 g/mol. IUPAC: 2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid.
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