Chemical ID: 7254492

C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccccc4F
Chemical ID:
7254492
Name [?]:
None
SMILES [?]:
C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccccc4F
InChi [?]:
InChI=1/C20H15FN4O2S/c1-2-11-24-18(27)14-8-4-6-10-16(14)25-19(24)22-23-20(25)28-12-17(26)13-7-3-5-9-15(13)21/h2-10H,1,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,24,9,25,10,23,8,26,11,3,19,22,7,27,12,20,5,14,17,28,15,16,4,13,21,6,18/rA:28nCCCNCOCCCCCCNCNNCSCCOCCCCCCF/rB:d1;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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15FN4O2S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.91428
Area:579.541
Solvation:-4.57424
Coulombic:-43.4032
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.423
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.09
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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