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Chemical ID: 6413127

CCCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)OCc3ccccc3

Chemical ID:

6413127

Name [?]:

4-benzyloxy-N-[(4-propoxyphenyl)methyleneamino]benzamide

SMILES [?]:

CCCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C24H24N2O3/c1-2-16-28-22-12-8-19(9-13-22)17-25-26-24(27)21-10-14-23(15-11-21)29-18-20-6-4-3-5-7-20/h3-15,17H,2,16,18H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,27,26,28,25,29,7,9,17,21,6,10,18,20,3,11,23,8,24,16,5,19,14,12,13,15,4,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCOCCCCCCCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6481
Area:	653.904
Solvation:	-5.69954
Coulombic:	-36.9154

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	388.459
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.31
LogP (Chemaxon):	5.33

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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