Text Search
Structure Search

7-benzyl-4-(4-methoxyphenyl)-N-phenyl-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

7-benzyl-4-(4-methoxyphenyl)-N-phenyl-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

Formula: C30H24N4OS

SMILES: COC1=CC=C(C=C1)C1=C(N2C(=N1)N(CC1=CC=CC=C1)C1=CC=CC=C21)C(=S)NC1=CC=CC=C1

IUPAC: 7-benzyl-4-(4-methoxyphenyl)-N-phenyl-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene-3-carbothioamide

InChI: InChI=1S/C30H24N4OS/c1-35-24-18-16-22(17-19-24)27-28(29(36)31-23-12-6-3-7-13-23)34-26-15-9-8-14-25(26)33(30(34)32-27)20-21-10-4-2-5-11-21/h2-19H,20H2,1H3,(H,31,36)

Composition: C (73.75%), H (4.95%), N (11.47%), O (3.27%), S (6.56%)

Molar Mass: 488.61

Atom Count: 60

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 488.167082583
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JUJUNBLQHXKZRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 161.6
Topological Polar Surface Area 43.49
Polarizability 59.5
Ring Count 6
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H24N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote