Chemical ID: 4184790

CCn1c2ccccc2c3c1nc(nn3)SCC(=O)N
Chemical ID:
4184790
Name [?]:
None
SMILES [?]:
CCn1c2ccccc2c3c1nc(nn3)SCC(=O)N
InChi [?]:
InChI=1/C13H13N5OS/c1-2-18-9-6-4-3-5-8(9)11-12(18)15-13(17-16-11)20-7-10(14)19/h3-6H,2,7H2,1H3,(H2,14,19)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,17,9,4,18,10,11,13,20,12,15,14,3,19,16/rA:20nCCNCCCCCCCCNCNNSCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N5OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.29118
Area:475.746
Solvation:-2.60247
Coulombic:-43.3983
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.341
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.66
LogP (Chemaxon):1.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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