Chemical ID: 4602441

Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)N=Cc4ccc(c(c4)OC)OC
Chemical ID:
4602441
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)N=Cc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C20H18N4O3/c1-12-4-6-15-14(8-12)18-19(23-15)20(25)24(11-21-18)22-10-13-5-7-16(26-2)17(9-13)27-3/h4-11,23H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,3,19,4,20,7,23,17,14,2,18,6,5,21,22,8,9,11,15,16,10,13,12,26,24/rA:27nCCCCCCCCCNCONCNNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s8d14;s13;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N4O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.72106
Area:550.625
Solvation:-6.04456
Coulombic:-46.7296
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:362.382
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):3.41

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Descriptor Annotations

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