Chemical ID: 7143359

CCc1ccccc1NC2=NC(=O)C(=Cc3cccc4c3cccc4)S2
Chemical ID:
7143359
Name [?]:
2-(2-ethylphenyl)amino-5-(1-naphthylmethylene)thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2OS/c1-2-15-8-4-6-13-19(15)23-22-24-21(25)20(26-22)14-17-11-7-10-16-9-3-5-12-18(16)17/h3-14H,2H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,5,23,6,18,4,25,19,17,22,7,15,3,20,16,21,8,14,12,10,9,11,13,26/rA:26nCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2OS
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.1836
Area:566.032
Solvation:-1.96721
Coulombic:-32.3812
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.31
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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