Chemical ID: 7697939

c1cc(ccc1CNC(=S)N2CCC(CC2)Nc3ccc4c(c3)OCO4)F
Chemical ID:
7697939
Name [?]:
None
SMILES [?]:
c1cc(ccc1CNC(=S)N2CCC(CC2)Nc3ccc4c(c3)OCO4)F
InChi [?]:
InChI=1/C20H22FN3O2S/c21-15-3-1-14(2-4-15)12-22-20(27)24-9-7-16(8-10-24)23-17-5-6-18-19(11-17)26-13-25-18/h1-6,11,16,23H,7-10,12-13H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,20,13,15,12,16,23,7,25,6,3,14,18,21,22,9,27,8,17,11,26,24,10/E:(1,2)(3,4)(7,8)(9,10)/rA:27nCCCCCCCNCSNCCCCCNCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22FN3O2S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:10.9521
Area:602.832
Solvation:-4.11875
Coulombic:-52.2212
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.32
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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