Text Search
Structure Search

10-bromo-14-(pentan-3-yl)-8-thia-14-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1(18),2(7),3,5,9(19),10,12(20),16-octaene-13,15-dione

10-bromo-14-(pentan-3-yl)-8-thia-14-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1(18),2(7),3,5,9(19),10,12(20),16-octaene-13,15-dione

Formula: C23H18BrNO2S

SMILES: CCC(CC)N1C(=O)C2=CC=C3C4=C(SC5=C3C2=C(C=C5Br)C1=O)C=CC=C4

IUPAC: 10-bromo-14-(pentan-3-yl)-8-thia-14-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1(18),2(7),3,5,9(19),10,12(20),16-octaene-13,15-dione

InChI: InChI=1S/C23H18BrNO2S/c1-3-12(4-2)25-22(26)15-10-9-14-13-7-5-6-8-18(13)28-21-17(24)11-16(23(25)27)19(15)20(14)21/h5-12H,3-4H2,1-2H3

Composition: C (61.07%), H (4.01%), Br (17.66%), N (3.10%), O (7.07%), S (7.09%)

Molar Mass: 452.37

Atom Count: 46

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 451.024163
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FLJAAPMGHZNCBW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.26
Topological Polar Surface Area 37.38
Polarizability 46.75
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C23H18BrNO2S Quote Only
Request Quote