Chemical ID: 4872092

COc1ccc(c(c1)C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2)OC
Chemical ID:
4872092
Name [?]:
2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2)OC
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-11-6-7-14(25-2)10(8-11)9-15-17(23)22-18(26-15)21-13-5-3-4-12(19)16(13)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,18,19,17,4,5,8,9,7,3,20,16,6,10,21,11,14,23,22,15,13,12,2,25,24/rA:26nCOCCCCCCCCCONCNCCCCCCClClSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2728
Area:598.592
Solvation:-4.69199
Coulombic:-43.32
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.17
LogP (Chemaxon):4.88

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Descriptor Annotations

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