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N'-[(3Z)-2-oxo-1-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)indol-3-ylidene]-2-{[(E)-[1-(thiophen-2-yl)ethylidene]amino]oxy}acetohydrazide

N'-[(3Z)-2-oxo-1-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)indol-3-ylidene]-2-{[(E)-[1-(thiophen-2-yl)ethylidene]amino]oxy}acetohydrazide

Formula: C27H33N5O3S

SMILES: CC(=N/OCC(=O)NN=C1/C(=O)N(CN2CC3(C)CC2CC(C)(C)C3)C2=CC=CC=C12)C1=CC=CS1

IUPAC: N'-[(3Z)-2-oxo-1-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)-2,3-dihydro-1H-indol-3-ylidene]-2-{[(E)-[1-(thiophen-2-yl)ethylidene]amino]oxy}acetohydrazide

InChI: InChI=1/C27H33N5O3S/c1-18(22-10-7-11-36-22)30-35-14-23(33)28-29-24-20-8-5-6-9-21(20)32(25(24)34)17-31-16-27(4)13-19(31)12-26(2,3)15-27/h5-11,19H,12-17H2,1-4H3,(H,28,33)/b29-24-,30-18+

Composition: C (63.88%), H (6.55%), N (13.80%), O (9.45%), S (6.32%)

Molar Mass: 507.65

Atom Count: 69

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 507.230411117
Formal Charge 0
FSP3 0.48
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey VNYAXOWYUCAKBH-VAJFAAAUNA-N
Lipinski's Rule of Five
Molar Refractivity 139.01
Topological Polar Surface Area 86.6
Polarizability 53.77
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H33N5O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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