Chemical ID: 7141260

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
Chemical ID:
7141260
Name [?]:
2-(4-ethylphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2OS/c1-2-15-10-12-18(13-11-15)23-22-24-21(25)20(26-22)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-14H,2H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,18,25,19,17,22,4,8,5,7,15,3,20,16,6,21,14,12,10,9,11,13,26/E:(10,11)(12,13)/rA:26nCCCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;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:0
ZAP Information [?]
Total:11.9357
Area:564.36
Solvation:-2.17326
Coulombic:-31.5021
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:358.457
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.26
LogP (Chemaxon):6.22

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Descriptor Annotations

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