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Chemical ID: 7295088
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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