Chemical ID: 7144831

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S)C
Chemical ID:
7144831
Name [?]:
4-[[3-(2,5-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S)C
InChi [?]:
InChI=1/C19H15NO2S2/c1-12-3-4-13(2)16(9-12)20-18(22)17(24-19(20)23)10-14-5-7-15(11-21)8-6-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,4,14,18,15,17,7,12,19,2,5,13,16,6,11,9,22,8,20,10,23,21/E:(5,6)(7,8)/rA:24nCCCCCCCNCOCCCCCCCCCOSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s11;s8s21;d22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO2S2
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6957
Area:549.19
Solvation:-3.03409
Coulombic:-27.1516
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:353.46
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):5.1

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