Chemical ID: 7221836

CS(=O)(=O)N1CCCC(C1)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221836
Name [?]:
None
SMILES [?]:
CS(=O)(=O)N1CCCC(C1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C15H17N5O2S/c1-23(21,22)19-8-4-5-11(9-19)14-17-15-12-6-2-3-7-13(12)16-10-20(15)18-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,7,8,15,18,6,10,21,9,14,19,11,13,20,12,23,5,22,3,4,2/E:(21,22)/CRV:23.6/rA:23cCSOONCCCCCCNCCCCCCCNCNN/rB:s1;d2;d2;s2;s5;s6;s7;s8;s5s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;d11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N5O2S
All Atoms:40
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.24976
Area:503.647
Solvation:-3.34142
Coulombic:-21.6465
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.394
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.17
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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