Chemical ID: 7140492

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2
Chemical ID:
7140492
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2
InChi [?]:
InChI=1/C20H13ClN2O2S/c21-14-6-4-5-13(11-14)17-10-9-16(25-17)12-18-19(24)23-20(26-18)22-15-7-2-1-3-8-15/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,22,3,5,15,16,24,13,19,23,4,14,17,12,10,8,25,7,9,11,18,26/E:(2,3)(7,8)/rA:26nCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s23;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13ClN2O2S
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0376
Area:574.201
Solvation:-3.31742
Coulombic:-36.2717
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:380.848
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.37
LogP (Chemaxon):5.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue