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Chemical ID: 7360670

c1ccc2cc(ccc2c1)OCc3ccc(cc3)C(=O)NN=Cc4ccc(c(c4)O)O

Chemical ID:

7360670

Name [?]:

N-[(3,4-dihydroxyphenyl)methyleneamino]-4-(2-naphthyloxymethyl)benzamide

SMILES [?]:

c1ccc2cc(ccc2c1)OCc3ccc(cc3)C(=O)NN=Cc4ccc(c(c4)O)O

InChi [?]:

InChI=1/C25H20N2O4/c28-23-12-7-18(13-24(23)29)15-26-27-25(30)20-8-5-17(6-9-20)16-31-22-11-10-19-3-1-2-4-21(19)14-22/h1-15,28-29H,16H2,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,2,10,3,14,18,25,15,17,8,7,26,29,5,23,12,13,24,9,16,4,6,27,28,19,22,21,31,30,20,11/E:(5,6)(8,9)/rA:31nCCCCCCCCCCOCCCCCCCCONNCCCCCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀N₂O₄
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.93567
Area:	674.359
Solvation:	-6.9233
Coulombic:	-61.0528

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	412.437
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	6.5
LogP (Chemaxon):	5.2

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