Chemical ID: 7140890

COC(=O)c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
Chemical ID:
7140890
Name [?]:
methyl 4-[[2-(2,3-dichlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
InChi [?]:
InChI=1/C18H12Cl2N2O3S/c1-25-17(24)11-7-5-10(6-8-11)9-14-16(23)22-18(26-14)21-13-4-2-3-12(19)15(13)20/h2-9H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,7,9,6,10,11,8,5,22,18,12,23,13,3,16,25,24,17,15,14,4,2,26/E:(5,6)(7,8)/rA:26nCOCOCCCCCCCCCONCNCCCCCCClClS/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O3S
All Atoms:38
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0575
Area:600.211
Solvation:-2.9478
Coulombic:-49.9495
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:407.271
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.27
LogP (Chemaxon):4.94

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Descriptor Annotations

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