Chemical ID: 7672187

CC(C)(C)Cc1nc2c(c(n1)SCC(=O)N)c(=O)n(c(=O)n2C)C
Chemical ID:
7672187
Name [?]:
None
SMILES [?]:
CC(C)(C)Cc1nc2c(c(n1)SCC(=O)N)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C15H21N5O3S/c1-15(2,3)6-9-17-11-10(12(18-9)24-7-8(16)21)13(22)20(5)14(23)19(11)4/h6-7H2,1-5H3,(H2,16,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,24,5,13,14,6,9,8,10,17,20,2,16,7,11,22,19,15,18,21,12/E:(1,2,3)/rA:24nCCCCCCNCCCNSCCONCONCONCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s9;d17;s17;s19;d20;s8s20;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N5O3S
All Atoms:45
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.53697
Area:526.563
Solvation:-3.62709
Coulombic:-69.8066
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.67
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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