Chemical ID: 4645455

COc1cccc2c1OC(N3C2CC(=N3)c4ccccc4)c5ccc(cc5)F
Chemical ID:
4645455
Name [?]:
None
SMILES [?]:
COc1cccc2c1OC(N3C2CC(=N3)c4ccccc4)c5ccc(cc5)F
InChi [?]:
InChI=1/C23H19FN2O2/c1-27-21-9-5-8-18-20-14-19(15-6-3-2-4-7-15)25-26(20)23(28-22(18)21)16-10-12-17(24)13-11-16/h2-13,20,23H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,5,17,21,6,4,23,27,24,26,13,16,22,25,7,14,12,3,8,10,28,15,11,2,9/E:(3,4)(6,7)(10,11)(12,13)/rA:28cCOCCCCCCOCNCCCNCCCCCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s7s11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;s10;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19FN2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:8.85683
Area:570.065
Solvation:-5.39478
Coulombic:-27.7442
Bond Count [?]
All:32
Single:22
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.408
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):4.95

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Descriptor Annotations

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