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Chemical ID: 6164576
Chemical ID:
6164576
Name [?]:
5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccccc4)S3
InChi [?]:
InChI=1/C24H19ClN2O3S/c1-29-21-13-16(11-12-20(21)30-15-17-7-5-6-10-19(17)25)14-22-23(28)27-24(31-22)26-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,13,14,12,26,30,15,6,7,4,18,10,5,11,25,16,8,3,19,20,23,17,24,22,21,2,9,31/E:(3,4)(8,9)/rA:31nCOCCCCCCOCCCCCCCClCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s5;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClN2O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9656 |
Area: | 678.085 |
Solvation: | -4.98654 |
Coulombic: | -45.9925 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 450.938 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.99 |
LogP (Chemaxon): | 6.14 |
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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