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Chemical ID: 5625935
Chemical ID:
5625935
Name [?]:
2-(2-chlorophenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)NC(=Nc4ccccc4Cl)S3
InChi [?]:
InChI=1/C24H18Cl2N2O3S/c1-30-21-12-16(8-11-20(21)31-14-15-6-9-17(25)10-7-15)13-22-23(29)28-24(32-22)27-19-5-3-2-4-18(19)26/h2-13H,14H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,12,16,6,13,15,7,4,18,10,11,5,14,30,25,8,3,19,20,23,17,31,24,22,21,2,9,32/E:(6,7)(9,10)/rA:32nCOCCCCCCOCCCCCCCClCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2526 |
Area: | 717.352 |
Solvation: | -5.68117 |
Coulombic: | -45.6452 |
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
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