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Chemical ID: 5844503

CCOc1cc(ccc1OC(=O)c2cccc3c2cccc3)C=NNC(=O)Cc4ccccc4

Chemical ID:

5844503

Name [?]:

[2-ethoxy-4-[(2-phenylacetyl)aminoiminomethyl]phenyl] naphthalene-1-carboxylate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2cccc3c2cccc3)C=NNC(=O)Cc4ccccc4

InChi [?]:

InChI=1/C28H24N2O4/c1-2-33-26-17-21(19-29-30-27(31)18-20-9-4-3-5-10-20)15-16-25(26)34-28(32)24-14-8-12-22-11-6-7-13-23(22)24/h3-17,19H,2,18H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,32,31,33,21,20,15,30,34,22,16,19,14,7,8,5,28,23,29,6,17,18,13,9,4,26,11,24,25,27,12,3,10/E:(4,5)(9,10)/rA:34nCCOCCCCCCOCOCCCCCCCCCCCNNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s6;w23;s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8336
Area:	711.321
Solvation:	-5.94944
Coulombic:	-48.2208

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.501
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.64
LogP (Chemaxon):	5.68

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