Chemical ID: 7343542

CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccccc6F
Chemical ID:
7343542
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccccc6F
InChi [?]:
InChI=1/C28H24FN3O2/c1-3-17-12-14-18(15-13-17)20-16-31-27(34)32(23-11-7-5-9-21(23)29)26(33)28(31,2)25-24(20)19-8-4-6-10-22(19)30-25/h4-15,20,30H,3,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,22,31,23,30,21,32,24,29,4,8,5,7,10,3,6,20,9,33,25,28,19,18,15,12,17,34,26,11,14,16,13/E:(12,13)(14,15)/rA:34cCCCCCCCCCCNCONCOCCCCCCCCCNCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s11s15;s17;s9d18;s19;s20;d21;s22;d23;d20s24;s18s25;s17;s14;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24FN3O2
All Atoms:58
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:11.8341
Area:622.746
Solvation:-3.73456
Coulombic:-54.1517
Bond Count [?]
All:39
Single:27
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:453.508
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.1
LogP (Chemaxon):5.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue