Chemical ID: 7692730

CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)F)n6cccc6)C#N
Chemical ID:
7692730
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)F)n6cccc6)C#N
InChi [?]:
InChI=1/C31H27FN4O2/c1-4-35-24-10-6-5-9-22(24)31(29(35)38)23(19-33)28(34-15-7-8-16-34)36(21-13-11-20(32)12-14-21)25-17-30(2,3)18-26(37)27(25)31/h5-16H,4,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,2,7,6,34,35,8,5,27,29,26,30,33,36,22,20,37,28,25,9,13,4,16,18,17,14,11,21,10,31,38,32,3,15,19,12/E:(2,3)(7,8)(11,12)(13,14)(15,16)/rA:38cCCNCCCCCCCCOCCNCCCOCCCCCCCCCCCFNCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;d13;s14;s15;s10d16;s17;d18;s18;s20;s16s21;s21;s21;s15;s25;d26;s27;d28;d25s29;s28;s14;s32;d33;s34;s32d35;s13;t37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H27FN4O2
All Atoms:65
Heavy Atoms:38
Chiral Atoms:None
ZAP Information [?]
Total:11.8145
Area:656.846
Solvation:-4.60663
Coulombic:-42.4226
Bond Count [?]
All:43
Single:30
Double:12
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.78
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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