AC1LZ96Z
2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-(2-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168859|4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide|4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(o-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide|4-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)-N~2~-(2-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C31H28ClN3OS |
|---|---|
| Molecular Weight | 525.1642 g/mol |
| LogP | 8.16912 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.1642 |
| Monoisotopic Mass | 525.1642 |
| Heavy Atoms | 37 |
| Complexity | 1613.5397 |
Chemical Identifiers
| CAS Number | 488121-22-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC |
Product Overview
AC1LZ96Z (CAS 488121-22-8), with molecular formula C31H28ClN3OS and molecular weight 525.1642 g/mol. IUPAC: 2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-(2-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
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