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Chemical ID: 4416089
Chemical ID:
4416089
Name [?]:
2-(4-chlorophenyl)amino-5-[(3-methoxy-4-methyl-phenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-3-4-12(9-15(11)23-2)10-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,3,4,20,22,19,23,6,10,2,5,21,18,7,11,12,15,24,17,14,13,8,16/E:(5,6)(7,8)/rA:24nCCCCCCCOCCCCONCSNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6645 |
Area: | 557.355 |
Solvation: | -3.26942 |
Coulombic: | -37.2145 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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