Chemical ID: 7439990

CCCN1CCc2c(sc3c2c4[nH+]c(nn4cn3)c5ccccc5[O-])C1
Chemical ID:
7439990
Name [?]:
None
SMILES [?]:
CCCN1CCc2c(sc3c2c4[nH+]c(nn4cn3)c5ccccc5[O-])C1
InChi [?]:
InChI=1/C19H19N5OS/c1-2-8-23-9-7-13-15(10-23)26-19-16(13)18-21-17(22-24(18)11-20-19)12-5-3-4-6-14(12)25/h3-6,11,25H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,6,3,5,26,17,19,7,24,8,11,14,12,10,18,13,15,4,16,25,9/rA:26cCCCNCCCCSCCCN+CNNCNCCCCCCO-C/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s11;d12;s13;d14;s12s15;s16;s10d17;s14;s19;d20;s21;d22;d19s23;s24;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N5OS
All Atoms:45
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-23.8288
Area:559.139
Solvation:-37.8073
Coulombic:-34.0865
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:365.453
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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