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Chemical ID: 6628284

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc4ccccc4c3

Chemical ID:

6628284

Name [?]:

[2-ethoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] benzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C28H24N2O5/c1-2-33-26-16-20(12-15-25(26)35-28(32)22-9-4-3-5-10-22)18-29-30-27(31)19-34-24-14-13-21-8-6-7-11-23(21)17-24/h3-18H,2,19H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,16,15,17,31,32,30,14,18,33,7,28,27,8,5,35,19,24,6,29,13,34,26,9,4,22,11,20,21,23,12,3,25,10/E:(4,5)(9,10)/rA:35nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;s29;d30;s31;d32;d29s33;d26s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₅
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9957
Area:	742.542
Solvation:	-7.56783
Coulombic:	-55.3028

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	468.501
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.51
LogP (Chemaxon):	5.34

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