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Chemical ID: 6442388
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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