Chemical ID: 6713840

Cc1ccc(cc1)n2cnc3c4c(cc[nH+]c4sc3c2=O)N(C)C
Chemical ID:
6713840
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2cnc3c4c(cc[nH+]c4sc3c2=O)N(C)C
InChi [?]:
InChI=1/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,23,24,3,7,4,6,14,15,9,2,5,13,12,11,19,17,20,16,10,22,8,21,18/E:(2,3)(4,5)(6,7)/rA:24nCCCCCCCNCNCCCCCN+CSCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s17;d11s18;s8s19;d20;s13;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N4OS+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-22.7825
Area:517.371
Solvation:-35.7168
Coulombic:-16.7067
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.42
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):3.57

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Descriptor Annotations

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