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Chemical ID: 7513854
Chemical ID:
7513854
Name [?]:
2-(3-chloro-2-methyl-phenyl)amino-5-[(2,4-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1c(cccc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-11-14(20)5-4-6-15(11)21-19-22-18(23)17(26-19)9-12-7-8-13(24-2)10-16(12)25-3/h4-10H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,5,6,4,17,18,15,20,2,16,19,7,3,21,14,12,10,8,9,11,13,24,22,26/rA:26nCCCCCCCClNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7527 |
Area: | 592.097 |
Solvation: | -4.04975 |
Coulombic: | -44.2715 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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