Chemical ID: 7289615

C1Cc2c(sc3c2c(=O)[nH]c(n3)C[N+]45CCN(CC4)CC5)C1
Chemical ID:
7289615
Name [?]:
None
SMILES [?]:
C1Cc2c(sc3c2c(=O)[nH]c(n3)C[N+]45CCN(CC4)CC5)C1
InChi [?]:
InChI=1/C16H20N4OS/c21-15-14-11-2-1-3-12(11)22-16(14)18-13(17-15)10-20-7-4-19(5-8-20)6-9-20/h1-10H2/p+1
InChi Info:
AuxInfo=1/5/N:1,2,22,16,18,20,15,19,21,13,3,4,11,7,8,6,10,12,17,14,9,5/E:(4,5,6)(7,8,9)/CRV:20+1,21-1/rA:22nCCCCSCCCONCNCN+CCNCCCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s8;s10;s6d11;s11;s13;s14;s15;s16;s17;s14s18;s17;s14s20;s1s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N4OS+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-17.1803
Area:465.058
Solvation:-28.8068
Coulombic:-6.04279
Bond Count [?]
All:26
Single:22
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:317.43
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-2.23
LogP (Chemaxon):-3.88

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