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Chemical ID: 5764969
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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