Chemical ID: 7215402

CCN(CC)C(=O)c1c(c2c3nc(nn3cnc2s1)c4ccn(n4)C)C
Chemical ID:
7215402
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)c1c(c2c3nc(nn3cnc2s1)c4ccn(n4)C)C
InChi [?]:
InChI=1/C17H19N7OS/c1-5-23(6-2)17(25)13-10(3)12-15-19-14(11-7-8-22(4)20-11)21-24(15)9-18-16(12)26-13/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,26,25,2,4,21,22,16,9,20,10,8,13,11,18,6,17,12,24,14,23,3,15,7,19/E:(1,2)(5,6)/rA:26nCCNCCCOCCCCNCNNCNCSCCCNNCC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;d13;s11s14;s15;d16;d10s17;s8s18;s13;s20;d21;s22;d20s23;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N7OS
All Atoms:45
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.988
Area:560.475
Solvation:-3.02389
Coulombic:-39.2726
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.445
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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