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Chemical ID: 5764920
Chemical ID:
5764920
Name [?]:
1-[(4-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethylideneamino]piperidine-4-carboxamide
SMILES [?]:
CC(=NNC(=O)C1CCN(CC1)Cc2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H26ClN3O2/c1-16(18-5-9-21(28-2)10-6-18)24-25-22(27)19-11-13-26(14-12-19)15-17-3-7-20(23)8-4-17/h3-10,19H,11-15H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,28,15,19,22,26,16,18,23,25,8,12,9,11,13,2,14,21,7,17,24,5,20,3,4,10,6,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCNNCOCCCNCCCCCCCCCClCCCCCCOC/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;s2;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26ClN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9684 |
Area: | 653.397 |
Solvation: | -5.36651 |
Coulombic: | -31.3927 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 399.914 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.73 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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