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Chemical ID: 4734317
Chemical ID:
4734317
Name [?]:
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-3-ethyl-thiazol-2-amine
SMILES [?]:
CC[n+]1c(csc1Nc2cc(cc(c2)Cl)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H13Cl3N2S/c1-2-22-16(11-3-5-12(18)6-4-11)10-23-17(22)21-15-8-13(19)7-14(20)9-15/h3-10H,2H2,1H3/p+1
InChi Info:
AuxInfo=1/5/N:1,2,18,22,19,21,12,10,14,5,17,20,11,13,9,4,7,23,16,15,8,3,6/E:(3,4)(5,6)(8,9)(13,14)(19,20)/rA:23nCCN+CCSCNCCCCCCClClCCCCCCCl/rB:s1;s2;s3;d4;s5;d3s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s11;s4;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl3N2S+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -13.3704 |
Area: | 566.371 |
Solvation: | -27.5297 |
Coulombic: | 4.21485 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.731 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.08 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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