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10-[4-(methylsulfanyl)phenyl]-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-[4-(methylsulfanyl)phenyl]-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C26H24N2OS

SMILES: CSC1=CC=C(C=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=CC=C1

IUPAC: 10-[4-(methylsulfanyl)phenyl]-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C26H24N2OS/c1-30-20-13-11-18(12-14-20)26-25-23(27-21-9-5-6-10-22(21)28-26)15-19(16-24(25)29)17-7-3-2-4-8-17/h2-14,19,26-28H,15-16H2,1H3

Composition: C (75.70%), H (5.86%), N (6.79%), O (3.88%), S (7.77%)

Molar Mass: 412.55

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 412.160934575
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QNWVTERWDJFHCY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 129.13
Topological Polar Surface Area 41.13
Polarizability 47.98
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H24N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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