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Chemical ID: 4087423

COc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3cccc(c3)Cl

Chemical ID:

4087423

Name [?]:

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyleneamino]-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3cccc(c3)Cl

InChi [?]:

InChI=1/C22H19ClN2O3/c1-27-20-11-7-18(8-12-20)22(26)25-24-14-16-5-9-21(10-6-16)28-15-17-3-2-4-19(23)13-17/h2-14H,15H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,15,19,5,7,16,18,4,8,27,13,21,14,22,6,26,3,17,9,28,12,11,10,2,20/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCOCCCCCCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉ClN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0659
Area:	637.484
Solvation:	-5.87118
Coulombic:	-36.1959

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	394.851
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.16
LogP (Chemaxon):	5.03

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