AC1MJ1FG
ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 01313069|AH-262/37288003|ethyl 2-(2-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate|Ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate|ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate|ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C31H39N3O3S |
|---|---|
| Molecular Weight | 533.27124 g/mol |
| LogP | 6.87574 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.27124 |
| Monoisotopic Mass | 533.27124 |
| Heavy Atoms | 38 |
| Complexity | 1380.9009 |
Chemical Identifiers
| CAS Number | 337488-82-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN3C4=C(C=C(C=C4)C5CCCCC5)C6=C3C2CCC6 |
Product Overview
AC1MJ1FG (CAS 337488-82-1), with molecular formula C31H39N3O3S and molecular weight 533.27124 g/mol. IUPAC: ethyl 2-[[2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
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