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Chemical ID: 7702848

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccccc3OC

Chemical ID:

7702848

Name [?]:

None

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccccc3OC

InChi [?]:

InChI=1/C28H30N2O7/c1-4-16-35-22-13-11-21(12-14-22)28(32)37-25-15-10-20(17-26(25)34-5-2)18-29-30-27(31)19-36-24-9-7-6-8-23(24)33-3/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,22,37,2,21,33,32,34,31,16,7,9,6,10,15,3,18,23,28,17,8,5,35,30,14,19,26,11,24,25,27,12,36,20,4,29,13/E:(11,12)(13,14)/rA:37nCCCOCCCCCCCOOCCCCCCOCCCNNCOCOCCCCCCOC/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;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₀N₂O₇
All Atoms:	67
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	9.36403
Area:	827.348
Solvation:	-11.3197
Coulombic:	-67.0728

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	15
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.59
LogP (Chemaxon):	None

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