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Chemical ID: 6437112
Chemical ID:
6437112
Name [?]:
N-(3,5-dimethylphenyl)-2-(4-hydroxy-2-isopropylideneaminoimino-5H-thiazol-5-yl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CC2C(=NC(=NN=C(C)C)S2)O)C
InChi [?]:
InChI=1/C16H20N4O2S/c1-9(2)19-20-16-18-15(22)13(23-16)8-14(21)17-12-6-10(3)5-11(4)7-12/h5-7,13H,8H2,1-4H3,(H,17,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:19,20,1,23,3,7,5,11,18,2,4,6,12,9,13,15,8,14,17,16,10,22,21/E:(1,2)(3,4)(6,7)(10,11)/rA:23cCCCCCCCNCOCCCNCNNCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;w15;s16;d17;s18;s18;s12s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N4O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9047 |
Area: | 566.774 |
Solvation: | -3.26463 |
Coulombic: | -45.651 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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