Chemical ID: 7140095

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccccc3OC)S2)C
Chemical ID:
7140095
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccccc3OC)S2)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-8-9-13(2)15(10-12)20-19-21-18(22)17(24-19)11-14-6-4-5-7-16(14)23-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,17,18,16,19,3,4,7,14,2,5,15,6,20,13,11,9,8,10,12,21,23/rA:24nCCCCCCCNCNCOCCCCCCCCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.587
Area:542.953
Solvation:-2.98681
Coulombic:-37.2342
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):5.03

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Descriptor Annotations

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