Chemical ID: 7725145

CC(=O)C(C(=O)C)Sc1ccc2nnc(n2n1)c3cccnc3
Chemical ID:
7725145
Name [?]:
None
SMILES [?]:
CC(=O)C(C(=O)C)Sc1ccc2nnc(n2n1)c3cccnc3
InChi [?]:
InChI=1/C15H13N5O2S/c1-9(21)14(10(2)22)23-13-6-5-12-17-18-15(20(12)19-13)11-4-3-7-16-8-11/h3-8,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,20,19,11,10,21,23,2,5,18,12,9,4,15,22,13,14,17,16,3,6,8/E:(1,2)(9,10)(21,22)/rA:23nCCOCCOCSCCCCNNCNNCCCCNC/rB:s1;d2;s2;s4;d5;s5;s4;s8;s9;d10;s11;d12;s13;d14;s12s15;d9s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N5O2S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:7.88307
Area:483.592
Solvation:-4.20674
Coulombic:-28.7267
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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