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Chemical ID: 5764792
Chemical ID:
5764792
Name [?]:
1-[(4-chlorophenyl)methyl]-N-[1-(2-naphthyl)ethylideneamino]piperidine-4-carboxamide
SMILES [?]:
CC(=NNC(=O)C1CCN(CC1)Cc2ccc(cc2)Cl)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C25H26ClN3O/c1-18(22-9-8-20-4-2-3-5-23(20)16-22)27-28-25(30)21-12-14-29(15-13-21)17-19-6-10-24(26)11-7-19/h2-11,16,21H,12-15,17H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,26,27,25,28,15,19,23,22,16,18,8,12,9,11,30,13,2,14,24,7,21,29,17,5,20,3,4,10,6/E:(6,7)(10,11)(12,13)(14,15)/rA:30nCCNNCOCCCNCCCCCCCCCClCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;s2;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26ClN3O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5185 |
Area: | 675.043 |
Solvation: | -4.35754 |
Coulombic: | -25.7322 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.946 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.08 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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