Chemical ID: 7320157

CCCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccc(cc4)F
Chemical ID:
7320157
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C20H17FN4O2S/c1-2-11-24-18(27)15-5-3-4-6-16(15)25-19(24)22-23-20(25)28-12-17(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,23,27,24,26,3,19,22,25,7,12,20,5,14,17,28,15,16,4,13,21,6,18/E:(7,8)(9,10)/rA:28nCCCNCOCCCCCCNCNNCSCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s15;s13d16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17FN4O2S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9362
Area:590.466
Solvation:-3.82545
Coulombic:-43.0877
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.439
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):3.41

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Experimental Annotations

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Descriptor Annotations

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