Chemical ID: 7160339

CC(C(=O)NCCCn1cc(cn1)Br)n2c(c(c(n2)C(F)(F)F)Br)C3CC3
Chemical ID:
7160339
Name [?]:
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-bromopyrazol-1-yl)propyl]propanamide
SMILES [?]:
CC(C(=O)NCCCn1cc(cn1)Br)n2c(c(c(n2)C(F)(F)F)Br)C3CC3
InChi [?]:
InChI=1/C16H18Br2F3N5O/c1-9(15(27)22-5-2-6-25-8-11(17)7-23-25)26-13(10-3-4-10)12(18)14(24-26)16(19,20)21/h7-10H,2-6H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,7,26,27,6,8,12,10,2,25,11,17,16,18,3,20,14,24,21,22,23,5,13,19,9,15,4/E:(3,4)(19,20,21)/rA:27cCCCONCCCNCCCNBrNCCCNCFFFBrCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;s9d12;s11;s2;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18Br2F3N5O
All Atoms:45
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9527
Area:615.721
Solvation:-4.44037
Coulombic:-48.0076
Bond Count [?]
All:29
Single:24
Double:5
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:513.15
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.76
LogP (Chemaxon):3.22

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Descriptor Annotations

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