AC1N1HSI
[2-methoxy-4-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] thiophene-2-carboxylate
Also Known As: 2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate|4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl thiophene-2-carboxylate
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.09735 g/mol |
| LogP | 3.8794 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.09735 |
| Monoisotopic Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1155.9701 |
Chemical Identifiers
| CAS Number | 496775-35-0 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CS5)OC |
Product Overview
AC1N1HSI (CAS 496775-35-0), with molecular formula C22H21N3O4S2 and molecular weight 455.09735 g/mol. IUPAC: [2-methoxy-4-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] thiophene-2-carboxylate.
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