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4-{4-[(4-{4-[(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl)sulfanyl]phenoxy}phenyl)sulfanyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-{4-[(4-{4-[(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl)sulfanyl]phenoxy}phenyl)sulfanyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

Formula: C42H32N2O5S2

SMILES: O=C1C2C3CC(C=C3)C2C(=O)N1C1=CC=C(SC2=CC=C(OC3=CC=C(SC4=CC=C(C=C4)N4C(=O)C5C6CC(C=C6)C5C4=O)C=C3)C=C2)C=C1

IUPAC: 4-{4-[(4-{4-[(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl)sulfanyl]phenoxy}phenyl)sulfanyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C42H32N2O5S2/c45-39-35-23-1-2-24(21-23)36(35)40(46)43(39)27-5-13-31(14-6-27)50-33-17-9-29(10-18-33)49-30-11-19-34(20-12-30)51-32-15-7-28(8-16-32)44-41(47)37-25-3-4-26(22-25)38(37)42(44)48/h1-20,23-26,35-38H,21-22H2

Composition: C (71.17%), H (4.55%), N (3.95%), O (11.29%), S (9.05%)

Molar Mass: 708.85

Atom Count: 83

Heavy Atom Count: 51

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 8
Exact Mass 708.175264486
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey RMTDZZNHFDTNHS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 200.18
Topological Polar Surface Area 83.99
Polarizability 76.73
Ring Count 10
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C42H32N2O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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