C25H23BrN4S
2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: ChemDiv1_020793|Oprea1_075503|HMS646B03|F0386-0026|SR-01000424829-1|2-(4-bromophenyl)-6-phenyl-N-(prop-2-en-1-yl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide|N-allyl-4-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide|2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide|1-(4-bromophenyl)-4-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide|allyl-2-(p-bromophenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.0,(1)(2)]dodeca-2,5,7(12)-triene-5-carbothioamide|N-allyl-1-(4-bromophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
| Molecular Formula | C25H23BrN4S |
|---|---|
| Molecular Weight | 490.08267 g/mol |
| LogP | 6.0197 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.08267 |
| Monoisotopic Mass | 490.08267 |
| Heavy Atoms | 31 |
| Complexity | 1268.8458 |
Chemical Identifiers
| CAS Number | 313396-01-9 |
|---|---|
| SMILES | C=CCNC(=S)C1=C(C2=C3N1N=C(N3CCCC2)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
C25H23BrN4S (CAS 313396-01-9), with molecular formula C25H23BrN4S and molecular weight 490.08267 g/mol. IUPAC: 2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.