AC1NCHYQ
methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_626598|METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE|methyl 5-(dimethylcarbamoyl)-2-(2-imino-2H-chromene-3-carboxamido)-4-methylthiophene-3-carboxylate|methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate|methyl 5-(dimethylcarbamoyl)-2-{[(2-imino-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate|methyl 5-(N,N-dimethylcarbamoyl)-2-[(2-iminochromen-3-yl)carbonylamino]-4-meth ylthiophene-3-carboxylate
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10455 g/mol |
| LogP | 3.02289 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10455 |
| Monoisotopic Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 1192.5352 |
Chemical Identifiers
| CAS Number | 588692-95-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC2=N)C(=O)N(C)C |
Product Overview
AC1NCHYQ (CAS 588692-95-9), with molecular formula C20H19N3O5S and molecular weight 413.10455 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate.
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