Chemical ID: 7671276

CCc1nc2c(c(n1)SCC(=O)N3CCCCC3)c(=O)n(c(=O)n2C)C
Chemical ID:
7671276
Name [?]:
None
SMILES [?]:
CCc1nc2c(c(n1)SCC(=O)N3CCCCC3)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C17H23N5O3S/c1-4-11-18-14-13(16(24)21(3)17(25)20(14)2)15(19-11)26-10-12(23)22-8-6-5-7-9-22/h4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,16,15,17,14,18,10,3,11,6,5,7,19,22,4,8,24,21,13,12,20,23,9/E:(6,7)(8,9)/rA:26nCCCNCCCNSCCONCCCCCCONCONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s6;d19;s19;s21;d22;s5s22;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N5O3S
All Atoms:49
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.7027
Area:574.482
Solvation:-3.65937
Coulombic:-60.4802
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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