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Chemical ID: 5589943
Chemical ID:
5589943
Name [?]:
4-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-ethyl-thiazol-2-amine
SMILES [?]:
CC[n+]1c(csc1Nc2cccc(c2C)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H19ClN2S/c1-4-22-18(15-8-10-16(20)11-9-15)12-23-19(22)21-17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3/p+1
InChi Info:
AuxInfo=1/5/N:1,16,15,2,11,12,10,18,22,19,21,5,13,14,17,20,9,4,7,23,8,3,6/E:(8,9)(10,11)/rA:23nCCN+CCSCNCCCCCCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d3s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s13;s4;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN2S+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -12.768 |
Area: | 536.667 |
Solvation: | -26.1847 |
Coulombic: | 2.82299 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.894 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.5 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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