Chemical ID: 7140005

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
Chemical ID:
7140005
Name [?]:
2-(4-ethylphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C19H18N2OS/c1-3-14-8-10-16(11-9-14)20-19-21-18(22)17(23-19)12-15-6-4-13(2)5-7-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,20,17,21,4,8,5,7,15,19,3,16,6,14,12,10,9,11,13,23/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCCCNCNCOCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2OS
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.4977
Area:532.217
Solvation:-1.80768
Coulombic:-30.787
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:322.425
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):5.68

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