Chemical ID: 7222214

CCS(=O)(=O)N1CCCC(C1)c2nc3c4ccccc4ncn3n2
Chemical ID:
7222214
Name [?]:
None
SMILES [?]:
CCS(=O)(=O)N1CCCC(C1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C16H19N5O2S/c1-2-24(22,23)20-9-5-6-12(10-20)15-18-16-13-7-3-4-8-14(13)17-11-21(16)19-15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,8,9,16,19,7,11,22,10,15,20,12,14,21,13,24,6,23,4,5,3/E:(22,23)/CRV:24.6/rA:24cCCSOONCCCCCCNCCCCCCCNCNN/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;s20;d21;s14s22;d12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N5O2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.0841
Area:529.506
Solvation:-3.15358
Coulombic:-22.4217
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.421
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.52
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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