AC1LD2ZB
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899705|AK-777/11656227|ethyl 6-amino-5,7,7-tricyano-8-(3-thienyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.1103 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.1103 |
| Monoisotopic Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 488783-68-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 |
| InChIKey | KUQNRDWGSIFKAO-JKSUJKDBSA-N |
Product Overview
AC1LD2ZB (CAS 488783-68-2), with molecular formula C19H17N5O2S and molecular weight 379.1103 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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