Chemical ID: 6822219

Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)OC
Chemical ID:
6822219
Name [?]:
None
SMILES [?]:
Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)OC
InChi [?]:
InChI=1/C21H15N3O4S/c1-11-22-23-21(29-11)24-17(12-6-5-7-13(10-12)27-2)16-18(25)14-8-3-4-9-15(14)28-19(16)20(24)26/h3-10,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,14,15,24,23,25,13,16,27,2,22,26,12,17,9,8,10,19,20,5,3,4,7,11,21,28,18,6/rA:29cCCNNCSNCCCOCCCCCCOCCOCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N3O4S
All Atoms:44
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.78623
Area:585.014
Solvation:-4.83912
Coulombic:-45.8526
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:405.428
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.41
LogP (Chemaxon):2.29

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Descriptor Annotations

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