Chemical ID: 7140520

c1cc(cc(c1)Cl)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4Cl)Cl)S3
Chemical ID:
7140520
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-(2,4-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4Cl)Cl)S3
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-12-3-1-2-11(8-12)17-7-5-14(27-17)10-18-19(26)25-20(28-18)24-16-6-4-13(22)9-15(16)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,10,21,9,4,24,13,3,5,23,11,25,20,8,14,15,18,7,27,26,19,17,16,12,28/rA:28nCCCCCCClCCCCOCCCONCNCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl3N2O2S
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6087
Area:640.952
Solvation:-3.41509
Coulombic:-36.1551
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:449.738
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.61
LogP (Chemaxon):6.3

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Descriptor Annotations

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