AC1N3S6R
N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
Also Known As: VU0113343-2|F3407-3987|N-(4-methylbenzyl)-4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide|N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide|N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
| Molecular Formula | C24H27N3O2S |
|---|---|
| Molecular Weight | 421.1824 g/mol |
| LogP | 4.49031 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1824 |
| Monoisotopic Mass | 421.1824 |
| Heavy Atoms | 30 |
| Complexity | 1155.5249 |
Chemical Identifiers
| CAS Number | 689762-06-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S |
Product Overview
AC1N3S6R (CAS 689762-06-9), with molecular formula C24H27N3O2S and molecular weight 421.1824 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.
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