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Chemical ID: 4349806
Chemical ID:
4349806
Name [?]:
N-(2,5-dichlorophenyl)-2-[2-(1,2-dimethylpropylideneaminoimino)-4-hydroxy-5H-thiazol-5-yl]-acetamide
SMILES [?]:
CC(C)C(=NN=C1N=C(C(S1)CC(=O)Nc2cc(ccc2Cl)Cl)O)C
InChi [?]:
InChI=1/C16H18Cl2N4O2S/c1-8(2)9(3)21-22-16-20-15(24)13(25-16)7-14(23)19-12-6-10(17)4-5-11(12)18/h4-6,8,13H,7H2,1-3H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,25,19,20,17,12,2,4,18,21,16,10,13,9,7,23,22,15,8,5,6,14,24,11/E:(1,2)/rA:25cCCCCNNCNCCSCCONCCCCCCClClOC/rB:s1;s2;s2;w4;s5;w6;s7;d8;s9;s7s10;s10;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18Cl2N4O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7544 |
Area: | 629.565 |
Solvation: | -2.98476 |
Coulombic: | -47.616 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 401.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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