Chemical ID: 6442388

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3OCc4ccc(cc4Cl)Cl)S2)c5ccccc5
Chemical ID:
6442388
Name [?]:
5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3OCc4ccc(cc4Cl)Cl)S2)c5ccccc5
InChi [?]:
InChI=1/C29H20Cl2N2O2S/c30-22-16-15-21(25(31)18-22)19-35-26-14-8-7-9-20(26)17-27-28(34)33(24-12-5-2-6-13-24)29(36-27)32-23-10-3-1-4-11-23/h1-18H,19H2
InChi Info:
AuxInfo=1/0/N:1,34,2,6,33,35,16,17,15,3,5,32,36,18,23,24,13,26,21,14,22,25,4,31,27,19,12,10,8,29,28,7,9,11,20,30/E:(3,4)(5,6)(10,11)(12,13)/rA:36nCCCCCCNCNCOCCCCCCCCOCCCCCCCClClSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;s8s12;s9;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H20Cl2N2O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.8327
Area:713.872
Solvation:-3.01413
Coulombic:-37.0399
Bond Count [?]
All:40
Single:25
Double:15
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:531.453
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.67
LogP (Chemaxon):8.84

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Descriptor Annotations

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