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Chemical ID: 6629744

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc(cc3)CC

Chemical ID:

6629744

Name [?]:

[2-ethoxy-4-[[2-(4-ethylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc(cc3)CC

InChi [?]:

InChI=1/C29H32N2O6/c1-4-17-35-24-14-10-23(11-15-24)29(33)37-26-16-9-22(18-27(26)34-6-3)19-30-31-28(32)20-36-25-12-7-21(5-2)8-13-25/h7-16,18-19H,4-6,17,20H2,1-3H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,37,22,2,36,21,32,34,16,7,9,31,35,6,10,15,3,18,23,28,33,17,8,5,30,14,19,26,11,24,25,27,12,20,4,29,13/E:(7,8)(10,11)(12,13)(14,15)/rA:37nCCCOCCCCCCCOOCCCCCCOCCCNNCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s17;w23;s24;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₂N₂O₆
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9185
Area:	821.778
Solvation:	-8.62595
Coulombic:	-61.5481

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	15
Chiral:	1
Rigid Segments:	11

Chemical Properties

Molecular Weight:	504.574
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	6.84
LogP (Chemaxon):	5.76

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