Chemical ID: 7725238

CC(C(=O)OC)Sc1ccc2nnc(n2n1)c3ccncc3
Chemical ID:
7725238
Name [?]:
None
SMILES [?]:
CC(C(=O)OC)Sc1ccc2nnc(n2n1)c3ccncc3
InChi [?]:
InChI=1/C14H13N5O2S/c1-9(14(20)21-2)22-12-4-3-11-16-17-13(19(11)18-12)10-5-7-15-8-6-10/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,10,9,18,22,19,21,2,17,11,8,14,3,20,12,13,16,15,4,5,7/E:(5,6)(7,8)/rA:22cCCCOOCSCCCCNNCNNCCCNCC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;s12;d13;s11s14;d8s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N5O2S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.94926
Area:487.519
Solvation:-3.23871
Coulombic:-34.1838
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.33
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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