Chemical ID: 7667518

CCSc1nnc(n1CCOC)c2ccncc2
Chemical ID:
7667518
Name [?]:
None
SMILES [?]:
CCSc1nnc(n1CCOC)c2ccncc2
InChi [?]:
InChI=1/C12H16N4OS/c1-3-18-12-15-14-11(16(12)8-9-17-2)10-4-6-13-7-5-10/h4-7H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,14,18,15,17,9,10,13,7,4,16,6,5,8,11,3/E:(4,5)(6,7)/rA:18nCCSCNNCNCCOCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s7;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N4OS
All Atoms:34
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.54517
Area:462.945
Solvation:-3.02845
Coulombic:-25.4686
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.97
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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