Chemical ID: 5764792

CC(=NNC(=O)C1CCN(CC1)Cc2ccc(cc2)Cl)c3ccc4ccccc4c3
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

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Descriptor Annotations

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