Chemical ID: 7663995

CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCCC4)C#N)c5ccccc5F)C(=O)C1)C
Chemical ID:
7663995
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCCC4)C#N)c5ccccc5F)C(=O)C1)C
InChi [?]:
InChI=1/C28H29FN2O2S/c1-28(2)14-22-26(23(32)15-28)19(17-9-7-8-11-21(17)29)13-25(33)31(22)27-20(16-30)18-10-5-3-4-6-12-24(18)34-27/h7-9,11,19H,3-6,10,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,19,18,20,17,26,27,25,21,28,16,7,3,33,22,24,13,6,12,29,4,31,14,8,5,11,2,30,23,10,32,9,15/E:(1,2)/rA:34cCCCCCCCCONCCCCSCCCCCCCNCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s4s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s19;s13s20;s12;t22;s6;s24;d25;s26;d27;d24s28;s29;s5;d31;s2s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H29FN2O2S
All Atoms:63
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:11.8047
Area:635.556
Solvation:-4.08416
Coulombic:-31.1811
Bond Count [?]
All:38
Single:29
Double:8
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.45
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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