Chemical ID: 7722625

CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3ccc(cc3)F)C#N)CCCC2
Chemical ID:
7722625
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3ccc(cc3)F)C#N)CCCC2
InChi [?]:
InChI=1/C21H19FN2O3S/c1-2-27-21(26)18-16-5-3-4-6-17(16)28-20(18)24-19(25)14(12-23)11-13-7-9-15(22)10-8-13/h7-11H,2-6H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,25,17,21,18,20,15,23,16,14,19,7,8,6,12,10,4,22,24,11,13,5,3,9/E:(7,8)(9,10)/rA:28nCCOCOCCCSCNCOCCCCCCCCFCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s14;t23;s8;s25;s26;s7s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19FN2O3S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.438
Area:611.949
Solvation:-3.86076
Coulombic:-48.6707
Bond Count [?]
All:30
Single:21
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.37
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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