Chemical ID: 4156584

CCOC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
Chemical ID:
4156584
Name [?]:
ethyl 3-[5-[(2,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C19H13Cl2NO3S2/c1-2-25-18(24)12-4-3-5-14(8-12)22-17(23)16(27-19(22)26)9-11-6-7-13(20)10-15(11)21/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,18,19,11,16,21,17,6,20,10,22,15,13,4,26,24,23,12,14,5,3,27,25/rA:27nCCOCOCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;s15;s12s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13Cl2NO3S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.7851
Area:643.58
Solvation:-2.30444
Coulombic:-40.551
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:438.349
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.0
LogP (Chemaxon):5.41

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