Chemical ID: 7140126

COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2
Chemical ID:
7140126
Name [?]:
2-(3,4-dichlorophenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c1-23-12-5-2-10(3-6-12)8-15-16(22)21-17(24-15)20-11-4-7-13(18)14(19)9-11/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,17,4,8,18,9,21,6,16,3,19,20,10,11,14,23,22,15,13,12,2,24/E:(2,3)(5,6)/rA:24nCOCCCCCCCCCONCNCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O2S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8278
Area:565.44
Solvation:-3.30816
Coulombic:-36.8146
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:379.261
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):5.14

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