AC1MDO72
2-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: Oprea1_628537|BAS 00313912|F1018-0176|2-[(E)-[4-(dimethylamino)-3-nitrophenyl]methyleneamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarbonitrile|2-[(E)-{[4-(DIMETHYLAMINO)-3-NITROPHENYL]METHYLIDENE}AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE|2-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.11505 g/mol |
| LogP | 4.22338 |
| Topological Polar Surface Area | 82.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Monoisotopic Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 893.21155 |
Chemical Identifiers
| CAS Number | 324059-38-3 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-] |
Product Overview
AC1MDO72 (CAS 324059-38-3), with molecular formula C18H18N4O2S and molecular weight 354.11505 g/mol. IUPAC: 2-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
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