Chemical ID: 7669323

CCn1ccc(n1)c2nnc(n2CC3CCCO3)SCC(=O)O
Chemical ID:
7669323
Name [?]:
None
SMILES [?]:
CCn1ccc(n1)c2nnc(n2CC3CCCO3)SCC(=O)O
InChi [?]:
InChI=1/C14H19N5O3S/c1-2-18-6-5-11(17-18)13-15-16-14(23-9-12(20)21)19(13)8-10-4-3-7-22-10/h5-6,10H,2-4,7-9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,5,4,17,13,20,14,6,21,8,11,9,10,7,3,12,22,23,18,19/E:(20,21)/rA:23cCCNCCCNCNNCNCCCCCOSCCOO/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s9;d10;s8s11;s12;s13;s14;s15;s16;s14s17;s11;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N5O3S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:8.56394
Area:524.909
Solvation:-4.55879
Coulombic:-49.5266
Bond Count [?]
All:25
Single:20
Double:5
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.44
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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