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Chemical ID: 6627592

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3ccc4ccccc4c3

Chemical ID:

6627592

Name [?]:

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

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C27H23ClN2O3/c1-19(33-26-15-10-22-4-2-3-5-23(22)16-26)27(31)30-29-17-20-8-13-25(14-9-20)32-18-21-6-11-24(28)12-7-21/h2-17,19H,18H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,29,30,28,31,17,21,9,13,26,18,20,10,12,25,33,7,15,2,8,16,27,32,19,11,24,3,22,6,5,4,14,23/E:(6,7)(8,9)(11,12)(13,14)/rA:33cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s19;s2;s23;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₃ClN₂O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6221
Area:	729.675
Solvation:	-6.61981
Coulombic:	-37.3002

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	458.936
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.71
LogP (Chemaxon):	6.6

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

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

Chemical Mix	Source	External ID	Descriptor	Value