Chemical ID: 5777978

Cn1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCc5c4cccc5
Chemical ID:
5777978
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCc5c4cccc5
InChi [?]:
InChI=1/C20H17N5OS/c1-24-16-9-5-3-7-14(16)18-19(24)21-20(23-22-18)27-12-17(26)25-11-10-13-6-2-4-8-15(13)25/h2-9H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,6,25,5,27,7,24,4,21,20,16,22,8,23,3,17,9,10,12,11,14,13,2,19,18,15/rA:27nCNCCCCCCCCNCNNSCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;s21;s19s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N5OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4289
Area:566.767
Solvation:-2.74027
Coulombic:-35.0343
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.448
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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