AC1LZ4Y0
2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3963/0168875|4-(4-chlorophenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide|4-(4-chlorophenyl)-N-(o-tolyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide|4-(4-CHLOROPHENYL)-N~2~-(2-METHYLPHENYL)-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C31H28ClN3S |
|---|---|
| Molecular Weight | 509.16925 g/mol |
| LogP | 8.46894 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.16925 |
| Monoisotopic Mass | 509.16925 |
| Heavy Atoms | 36 |
| Complexity | 1590.1573 |
Chemical Identifiers
| CAS Number | 488100-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6C |
Product Overview
AC1LZ4Y0 (CAS 488100-16-9), with molecular formula C31H28ClN3S and molecular weight 509.16925 g/mol. IUPAC: 2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
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