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propyl 2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetate

propyl 2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetate

Formula: C23H21NO4

SMILES: CCCOC(=O)CN1C(=O)C2C(C3C4=C(C=CC=C4)C2C2=C3C=CC=C2)C1=O

IUPAC: propyl 2-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetate

InChI: InChI=1/C23H21NO4/c1-2-11-28-17(25)12-24-22(26)20-18-13-7-3-4-8-14(13)19(21(20)23(24)27)16-10-6-5-9-15(16)18/h3-10,18-21H,2,11-12H2,1H3

Composition: C (73.58%), H (5.64%), N (3.73%), O (17.05%)

Molar Mass: 375.424

Atom Count: 49

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 375.14705816
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VRRBWSRWAWGVFI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.02
Topological Polar Surface Area 63.68
Polarizability 40.03
Ring Count 5
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H21NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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