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Chemical ID: 7338158
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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