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4-{4-[4-(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}benzoyl)piperazine-1-carbonyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-{4-[4-(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}benzoyl)piperazine-1-carbonyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

Formula: C36H32N4O6

SMILES: O=C(N1CCN(CC1)C(=O)C1=CC=C(C=C1)N1C(=O)C2C3CC(C=C3)C2C1=O)C1=CC=C(C=C1)N1C(=O)C2C3CC(C=C3)C2C1=O

IUPAC: 4-{4-[4-(4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}benzoyl)piperazine-1-carbonyl]phenyl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C36H32N4O6/c41-31(19-5-9-25(10-6-19)39-33(43)27-21-1-2-22(17-21)28(27)34(39)44)37-13-15-38(16-14-37)32(42)20-7-11-26(12-8-20)40-35(45)29-23-3-4-24(18-23)30(29)36(40)46/h1-12,21-24,27-30H,13-18H2

Composition: C (70.12%), H (5.23%), N (9.09%), O (15.57%)

Molar Mass: 616.674

Atom Count: 78

Heavy Atom Count: 46

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 8
Exact Mass 616.232184766
Formal Charge 0
FSP3 0.39
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey JNWWRXMTGBUCGZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 168.44
Topological Polar Surface Area 115.38
Polarizability 63.1
Ring Count 9
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C36H32N4O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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