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Chemical ID: 7135015
Chemical ID:
7135015
Name [?]:
2-(4-chlorophenyl)amino-5-[(4-isopropylphenyl)methylene]thiazol-4-one
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c1-12(2)14-5-3-13(4-6-14)11-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h3-12H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,20,22,19,23,10,2,7,4,21,18,11,12,15,24,17,14,13,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCCCONCSNCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3212 |
Area: | 569.047 |
Solvation: | -1.90498 |
Coulombic: | -31.5497 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.87 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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