Chemical ID: 7052814

COCCCNC(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
Chemical ID:
7052814
Name [?]:
N-(3-methoxypropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-benzamide
SMILES [?]:
COCCCNC(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
InChi [?]:
InChI=1/C19H22F3N3O2/c1-27-12-4-11-23-18(26)13-7-9-14(10-8-13)25-16-6-3-2-5-15(16)17(24-25)19(20,21)22/h7-10H,2-6,11-12H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,26,4,24,27,10,14,11,13,5,3,9,12,17,16,18,7,20,21,22,23,6,19,15,8,2/E:(7,8)(9,10)(20,21,22)/rA:27nCOCCCNCOCCCCCCNCCCNCFFFCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s24;s25;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22F3N3O2
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2383
Area:588.07
Solvation:-4.46342
Coulombic:-53.9541
Bond Count [?]
All:29
Single:23
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.392
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):2.91

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Descriptor Annotations

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