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Chemical ID: 6628753

COc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc4ccccc4c3

Chemical ID:

6628753

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(2-naphthyloxy)acetamide

SMILES [?]:

COc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C27H23ClN2O4/c1-32-26-14-20(8-13-25(26)34-17-19-6-10-23(28)11-7-19)16-29-30-27(31)18-33-24-12-9-21-4-2-3-5-22(21)15-24/h2-16H,17-18H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,30,31,29,32,12,16,6,27,13,15,26,7,4,34,18,10,23,11,5,28,33,14,25,8,3,21,17,19,20,22,2,24,9/E:(6,7)(10,11)/rA:34nCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₃ClN₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	9.21161
Area:	746.405
Solvation:	-9.44851
Coulombic:	-41.8927

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	474.935
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.84
LogP (Chemaxon):	5.81

Name Annotations

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

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