Chemical ID: 5765072

COc1cccc(c1O)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Cl
Chemical ID:
5765072
Name [?]:
1-[(4-chlorophenyl)methyl]-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]piperidine-4-carboxamide
SMILES [?]:
COc1cccc(c1O)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H24ClN3O3/c1-28-19-4-2-3-17(20(19)26)13-23-24-21(27)16-9-11-25(12-10-16)14-15-5-7-18(22)8-6-15/h2-8,13,16,26H,9-12,14H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,23,27,24,26,16,20,17,19,10,21,22,15,7,25,3,8,13,28,11,12,18,9,14,2/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCOCCCCCCOCNNCOCCCNCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24ClN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.31637
Area:635.903
Solvation:-6.58121
Coulombic:-47.0327
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:401.886
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.18
LogP (Chemaxon):3.49

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