Chemical ID: 6193021

Cn1c2ccc3ccccc3c2sc1=NC(=O)c4cc(=O)c5ccccc5o4
Chemical ID:
6193021
Name [?]:
None
SMILES [?]:
Cn1c2ccc3ccccc3c2sc1=NC(=O)c4cc(=O)c5ccccc5o4
InChi [?]:
InChI=1/C22H14N2O3S/c1-24-16-11-10-13-6-2-3-7-14(13)20(16)28-22(24)23-21(26)19-12-17(25)15-8-4-5-9-18(15)27-19/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,24,25,7,10,23,26,5,4,19,6,11,22,3,20,27,18,12,16,14,15,2,21,17,28,13/rA:28nCNCCCCCCCCCCSCNCOCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;s2s13;w14;s15;d16;s16;d18;s19;d20;s20;s22;d23;s24;d25;d22s26;s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3083
Area:569.272
Solvation:-2.9235
Coulombic:-42.828
Bond Count [?]
All:32
Single:20
Double:12
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:386.424
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.78
LogP (Chemaxon):5.51

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