Chemical ID: 7295088

CCN(c1nc2c(cccc2s1)C)C(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
7295088
Name [?]:
N-ethyl-N-(4-methylbenzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILES [?]:
CCN(c1nc2c(cccc2s1)C)C(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2OS/c1-3-23(17-22-15-11(2)6-4-9-14(15)25-17)16(24)12-7-5-8-13(10-12)18(19,20)21/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,9,18,8,17,19,10,21,7,16,20,11,6,14,4,22,23,24,25,5,3,15,12/E:(19,20,21)/rA:25nCCNCNCCCCCCSCCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s7;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2OS
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.8566
Area:519.787
Solvation:-3.13808
Coulombic:-43.3726
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.386
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.62
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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