Chemical ID: 4734317

CC[n+]1c(csc1Nc2cc(cc(c2)Cl)Cl)c3ccc(cc3)Cl
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

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Descriptor Annotations

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