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Chemical ID: 6628093

Cc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

Chemical ID:

6628093

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H21ClN2O3/c1-16-3-8-19(9-4-16)23(27)26-25-14-18-7-12-21(22(13-18)28-2)29-15-17-5-10-20(24)11-6-17/h3-14H,15H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,20,3,7,24,28,14,4,6,25,27,15,18,12,22,2,23,13,5,26,16,17,8,29,11,10,9,19,21/E:(3,4)(5,6)(8,9)(10,11)/rA:29nCCCCCCCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClN₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.69663
Area:	656.516
Solvation:	-6.71626
Coulombic:	-35.9098

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.877
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.32
LogP (Chemaxon):	5.5

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