Chemical ID: 4304214

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2)c5ccccc5
Chemical ID:
4304214
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2)c5ccccc5
InChi [?]:
InChI=1/C26H17ClN2O2S/c27-19-9-7-8-18(16-19)23-15-14-22(31-23)17-24-25(30)29(21-12-5-2-6-13-21)26(32-24)28-20-10-3-1-4-11-20/h1-17H
InChi Info:
AuxInfo=1/0/N:1,30,2,6,29,31,21,20,22,3,5,28,32,15,16,24,13,19,23,4,27,14,17,12,10,8,25,7,9,11,18,26/E:(3,4)(5,6)(10,11)(12,13)/rA:32nCCCCCCNCNCOCCCCCCOCCCCCCClSCCCCCC/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;s9;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H17ClN2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.4225
Area:598.94
Solvation:-3.55097
Coulombic:-33.1947
Bond Count [?]
All:36
Single:22
Double:14
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:456.944
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.07
LogP (Chemaxon):7.2

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Descriptor Annotations

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