Chemical ID: 7513689

CCCC1=NN(C(=O)C1=CNCc2cccs2)c3nc4ccccc4s3
Chemical ID:
7513689
Name [?]:
2-benzothiazol-2-yl-5-propyl-4-(2-thienylmethylaminomethylene)pyrazol-3-one
SMILES [?]:
CCCC1=NN(C(=O)C1=CNCc2cccs2)c3nc4ccccc4s3
InChi [?]:
InChI=1/C19H18N4OS2/c1-2-6-15-14(12-20-11-13-7-5-10-25-13)18(24)23(22-15)19-21-16-8-3-4-9-17(16)26-19/h3-5,7-10,12,20H,2,6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,23,15,3,14,21,24,16,12,10,13,9,4,20,25,7,18,11,19,5,6,8,17,26/rA:26nCCCCNNCOCCNCCCCCSCNCCCCCCS/rB:s1;s2;s3;d4;s5;s6;d7;s4s7;w9;s10;s11;s12;d13;s14;d15;s13s16;s6;d18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4OS2
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.7851
Area:611.604
Solvation:-2.50503
Coulombic:-36.6447
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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