Chemical ID: 7341688

CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccc(cc6F)F
Chemical ID:
7341688
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccc(cc6F)F
InChi [?]:
InChI=1/C28H23F2N3O2/c1-3-16-8-10-17(11-9-16)20-15-32-27(35)33(23-13-12-18(29)14-21(23)30)26(34)28(32,2)25-24(20)19-6-4-5-7-22(19)31-25/h4-14,20,31H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,22,23,21,24,4,8,5,7,30,29,32,10,3,6,31,20,9,33,25,28,19,18,15,12,17,35,34,26,11,14,16,13/E:(8,9)(10,11)/rA:35cCCCCCCCCCCNCONCOCCCCCCCCCNCCCCCCCFF/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23F2N3O2
All Atoms:58
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:11.215
Area:629.446
Solvation:-4.5211
Coulombic:-56.1534
Bond Count [?]
All:40
Single:28
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:471.498
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.26
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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