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Chemical ID: 5640486
Chemical ID:
5640486
Name [?]:
5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C=C3C(=O)NC(=Nc4ccccc4)S3
InChi [?]:
InChI=1/C24H18Cl2N2O3S/c1-30-21-11-15(7-10-20(21)31-14-16-8-9-17(25)13-19(16)26)12-22-23(29)28-24(32-22)27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,27,31,6,12,13,7,4,19,15,10,5,11,14,26,16,8,3,20,21,24,18,17,25,23,22,2,9,32/E:(3,4)(5,6)/rA:32nCOCCCCCCOCCCCCCCClClCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s5;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9056 |
Area: | 713.079 |
Solvation: | -4.92135 |
Coulombic: | -45.9151 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 485.383 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.61 |
LogP (Chemaxon): | 6.66 |
Name Annotations
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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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