Chemical ID: 4250360

CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
Chemical ID:
4250360
Name [?]:
N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-benzamide
SMILES [?]:
CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
InChi [?]:
InChI=1/C17H18F3N3O/c1-22(2)16(24)11-7-9-12(10-8-11)23-14-6-4-3-5-13(14)15(21-23)17(18,19)20/h7-10H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,22,23,21,24,7,11,8,10,6,9,14,13,15,4,17,18,19,20,16,2,12,5/E:(1,2)(7,8)(9,10)(18,19,20)/rA:24nCNCCOCCCCCCNCCCNCFFFCCCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s21;s22;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18F3N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.49427
Area:496.898
Solvation:-2.92818
Coulombic:-41.8384
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.34
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):3.27

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Descriptor Annotations

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