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Chemical ID: 4304214
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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