Chemical ID: 5764969

c1ccc(cc1)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Br
Chemical ID:
5764969
Name [?]:
N-benzylideneamino-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C20H22BrN3O/c21-19-8-6-17(7-9-19)15-24-12-10-18(11-13-24)20(25)23-22-14-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,24,21,23,13,17,14,16,7,18,4,19,12,22,10,25,8,9,15,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCCNNCOCCCNCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22BrN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3962
Area:570.518
Solvation:-3.86675
Coulombic:-25.0277
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:400.312
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.46

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