Chemical ID: 7728918

Cn1c2c(c(nc(n2)C3CCCC3)SCCN4CCCC4)c(=O)n(c1=O)C
Chemical ID:
7728918
Name [?]:
None
SMILES [?]:
Cn1c2c(c(nc(n2)C3CCCC3)SCCN4CCCC4)c(=O)n(c1=O)C
InChi [?]:
InChI=1/C19H27N5O2S/c1-22-16-14(18(25)23(2)19(22)26)17(27-12-11-24-9-5-6-10-24)21-15(20-16)13-7-3-4-8-13/h13H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,11,12,19,20,10,13,18,21,16,15,9,4,7,3,5,22,25,8,6,2,24,17,23,26,14/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCNCCCNCNCCCCCSCCNCCCCCONCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;s5;s14;s15;s16;s17;s18;s19;s17s20;s4;d22;s22;s2s24;d25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N5O2S
All Atoms:54
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:12.2853
Area:587.614
Solvation:-2.40508
Coulombic:-51.4047
Bond Count [?]
All:30
Single:25
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.98
LogP (Chemaxon):None

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Descriptor Annotations

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