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Chemical ID: 5764920

CC(=NNC(=O)C1CCN(CC1)Cc2ccc(cc2)Cl)c3ccc(cc3)OC

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value