Chemical ID: 7723690

Cn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)F
Chemical ID:
7723690
Name [?]:
None
SMILES [?]:
Cn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)F
InChi [?]:
InChI=1/C22H13FN2O3S/c1-25-19-16(23)7-4-8-18(19)29-22(25)24-20(26)15-11-14-13-6-3-2-5-12(13)9-10-17(14)28-21(15)27/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,6,21,18,5,7,23,24,15,22,17,16,14,4,25,8,3,12,27,10,29,11,2,13,28,26,9/rA:29nCNCCCCCCSCNCOCCCCCCCCCCCCOCOF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;d14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s14s26;d27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13FN2O3S
All Atoms:42
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.1695
Area:571.345
Solvation:-4.11408
Coulombic:-47.3117
Bond Count [?]
All:33
Single:21
Double:12
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.94
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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