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N-(4-{17-hydroxy-8,10,14-trimethyl-5,6-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-4,6,8,19-tetraen-7-yl}-2-methylbutyl)acetamide

N-(4-{17-hydroxy-8,10,14-trimethyl-5,6-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-4,6,8,19-tetraen-7-yl}-2-methylbutyl)acetamide

Formula: C29H43N3O2

SMILES: CC(CCC1=NN=C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2=C1C)CNC(C)=O

IUPAC: N-(4-{17-hydroxy-8,10,14-trimethyl-5,6-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-4,6,8,19-tetraen-7-yl}-2-methylbutyl)acetamide

InChI: InChI=1/C29H43N3O2/c1-17(16-30-19(3)33)6-9-25-18(2)27-26(32-31-25)15-24-22-8-7-20-14-21(34)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17,21-24,34H,6,8-16H2,1-5H3,(H,30,33)

Composition: C (74.80%), H (9.31%), N (9.02%), O (6.87%)

Molar Mass: 465.682

Atom Count: 77

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 7
Exact Mass 465.335527637
Formal Charge 0
FSP3 0.76
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey INSJZTZMBXGLBZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 138.15
Topological Polar Surface Area 75.11
Polarizability 52.94
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H43N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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