Chemical ID: 5807254

CC(C)n1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4cccc(c4)F
Chemical ID:
5807254
Name [?]:
None
SMILES [?]:
CC(C)n1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C20H18FN5OS/c1-12(2)26-16-9-4-3-8-15(16)18-19(26)23-20(25-24-18)28-11-17(27)22-14-7-5-6-13(21)10-14/h3-10,12H,11H2,1-2H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,24,25,23,9,6,27,18,2,26,22,10,5,19,11,12,14,28,21,13,16,15,4,20,17/E:(1,2)/rA:28nCCCNCCCCCCCCNCNNSCCONCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18FN5OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4816
Area:604.15
Solvation:-3.62214
Coulombic:-43.0308
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.454
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):4.44

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