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

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

Formula: C27H26N2O2S

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C(SC)C=C1

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

InChI: InChI=1/C27H26N2O2S/c1-31-20-11-7-17(8-12-20)19-15-24-26(25(30)16-19)27(18-9-13-21(32-2)14-10-18)29-23-6-4-3-5-22(23)28-24/h3-14,19,27-29H,15-16H2,1-2H3

Composition: C (73.27%), H (5.92%), N (6.33%), O (7.23%), S (7.24%)

Molar Mass: 442.58

Atom Count: 58

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 442.171499259
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LZWMCIHUFKFIJD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.59
Topological Polar Surface Area 50.36
Polarizability 50.48
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H26N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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