AC1LCJPX
6-(benzylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: Oprea1_692525|1H-Thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,4-dihydro-6-benzylamino-8-isopropyl-3,3-dimethyl-|6-(benzylamino)-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile|6-(benzylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile|6-(Benzylamino)-8-isopropyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile|6-(Benzylamino)-8-isopropyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile #
| Molecular Formula | C21H25N3S |
|---|---|
| Molecular Weight | 351.1769 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1769 |
| Monoisotopic Mass | 351.1769 |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 371925-75-6 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CSC(C2)(C)C)C#N)NCC3=CC=CC=C3 |
| InChIKey | SGPIMWKYZXBMTE-UHFFFAOYSA-N |
Product Overview
AC1LCJPX (CAS 371925-75-6), with molecular formula C21H25N3S and molecular weight 351.1769 g/mol. IUPAC: 6-(benzylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
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