Text Search
Structure Search

10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,?.0¹³,¹?]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione

10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,?.0¹³,¹?]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione

CAS: 157047-96-6

Formula: C24H19N3O2

SMILES: CN1C(CC2=CC=CC=C2)C2=NC3=CC=CC=C3C(=O)N2C2=CC=CC=C2C1=O

IUPAC: 10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,?.0¹³,¹?]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione

InChI: InChI=1/C24H19N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-14,21H,15H2,1H3

Composition: C (75.57%), H (5.02%), N (11.02%), O (8.39%)

Molar Mass: 381.435

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 381.147726864
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YYWUABJYAOCACI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.49
Topological Polar Surface Area 52.98
Polarizability 41.97
Ring Count 5
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 157047-96-6 $377.20-$890.10$377.20$890.10
Request Quote