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Chemical ID: 5538470
Chemical ID:
5538470
Name [?]:
N-[5-[[3,5-dichloro-4-(p-tolylmethoxy)phenyl]methylene]-4-oxo-thiazol-2-yl]acetamide
SMILES [?]:
Cc1ccc(cc1)COc2c(cc(cc2Cl)C=C3C(=O)N=C(S3)NC(=O)C)Cl
InChi [?]:
InChI=1/C20H16Cl2N2O3S/c1-11-3-5-13(6-4-11)10-27-18-15(21)7-14(8-16(18)22)9-17-19(26)24-20(28-17)23-12(2)25/h3-9H,10H2,1-2H3,(H,23,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,4,6,12,14,17,8,2,25,5,13,11,15,18,10,19,22,28,16,24,21,26,20,9,23/E:(3,4)(5,6)(7,8)(15,16)(21,22)/rA:28nCCCCCCCCOCCCCCCClCCCONCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;w17;s18;d19;s19;d21;s18s22;s22;s24;d25;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl2N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0299 |
Area: | 636.797 |
Solvation: | -4.89001 |
Coulombic: | -44.9537 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 435.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.82 |
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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