Chemical ID: 7338158

CCN(c1nc2cc(ccc2s1)Cl)C(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
7338158
Name [?]:
N-(5-chlorobenzothiazol-2-yl)-N-ethyl-3-(trifluoromethyl)benzamide
SMILES [?]:
CCN(c1nc2cc(ccc2s1)Cl)C(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C17H12ClF3N2OS/c1-2-23(16-22-13-9-12(18)6-7-14(13)25-16)15(24)10-4-3-5-11(8-10)17(19,20)21/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,9,10,21,7,16,20,8,6,11,14,4,22,13,23,24,25,5,3,15,12/E:(19,20,21)/rA:25nCCNCNCCCCCCSClCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s8;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClF3N2OS
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7004
Area:538.146
Solvation:-2.75322
Coulombic:-43.7488
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.804
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.01
LogP (Chemaxon):5.65

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Descriptor Annotations

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