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Chemical ID: 6335081

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)Cl

Chemical ID:

6335081

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-4-chloro-benzamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H17ClN2O2/c22-19-10-8-18(9-11-19)21(25)24-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,11,13,21,25,22,24,10,14,15,7,12,4,20,23,9,18,26,16,17,19,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇ClN₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4053
Area:	600.126
Solvation:	-4.59785
Coulombic:	-29.999

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	364.825
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.24
LogP (Chemaxon):	5.29

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

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Chemical Mix	Source	External ID	Descriptor	Value