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Chemical ID: 6628981

CC(C(=O)NN=Cc1cccc(c1)OCc2ccc(cc2)Cl)Oc3cccc4c3cccc4

Chemical ID:

6628981

Name [?]:

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-2-(1-naphthyloxy)propanamide

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OCc2ccc(cc2)Cl)Oc3cccc4c3cccc4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,32,31,10,26,9,33,27,11,30,25,17,21,18,20,13,7,15,2,16,8,28,19,12,29,24,3,22,6,5,4,14,23/E:(12,13)(14,15)/rA:33cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s2;s23;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.2489
Area:	720.042
Solvation:	-6.75219
Coulombic:	-37.3251

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