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Chemical ID: 4600537

CCOc1ccc2ccccc2c1C=NNC(=O)CNC(=O)c3ccc(cc3)OC

Chemical ID:

4600537

Name [?]:

N-[(2-ethoxy-1-naphthyl)methyleneaminocarbamoylmethyl]-4-methoxy-benzamide

SMILES [?]:

CCOc1ccc2ccccc2c1C=NNC(=O)CNC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C23H23N3O4/c1-3-30-21-13-10-16-6-4-5-7-19(16)20(21)14-25-26-22(27)15-24-23(28)17-8-11-18(29-2)12-9-17/h4-14H,3,15H2,1-2H3,(H,24,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,30,2,9,10,8,11,24,28,6,25,27,5,14,19,7,23,26,12,13,4,17,21,20,15,16,18,22,29,3/E:(8,9)(11,12)/rA:30nCCOCCCCCCCCCCCNNCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;w14;s15;s16;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.59719
Area:	650.194
Solvation:	-6.65765
Coulombic:	-55.431

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	405.447
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.68
LogP (Chemaxon):	3.01

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