Chemical ID: 4559499

Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)CCc4ccccc4OC
Chemical ID:
4559499
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)CCc4ccccc4OC
InChi [?]:
InChI=1/C20H19N3O2/c1-13-7-8-16-15(11-13)18-19(22-16)20(24)23(12-21-18)10-9-14-5-3-4-6-17(14)25-2/h3-8,11-12,22H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,20,21,19,22,3,4,17,16,7,14,2,18,6,5,23,8,9,11,15,10,13,12,24/rA:25nCCCCCCCCCNCONCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s8d14;s13;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.69194
Area:533.455
Solvation:-3.64443
Coulombic:-42.553
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.384
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.92

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Descriptor Annotations

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