Chemical ID: 5286265

CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)OCC
Chemical ID:
5286265
Name [?]:
None
SMILES [?]:
CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)OCC
InChi [?]:
InChI=1/C23H18ClN3O4S/c1-3-17-25-26-23(32-17)27-19(12-6-5-7-14(10-12)30-4-2)18-20(28)15-11-13(24)8-9-16(15)31-21(18)22(27)29/h5-11,19H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,31,26,25,27,16,17,29,14,24,15,28,13,18,3,10,9,11,20,21,6,23,4,5,8,12,22,30,19,7/rA:32cCCCNNCSNCCCOCCCCCCOCCOClCCCCCCOCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClN3O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9976
Area:673.105
Solvation:-4.83005
Coulombic:-46.1588
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:467.926
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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