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Chemical ID: 7703731

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(c3ccccc3)O

Chemical ID:

7703731

Name [?]:

None

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(c3ccccc3)O

InChi [?]:

InChI=1/C27H28N2O6/c1-3-16-34-22-13-11-21(12-14-22)27(32)35-23-15-10-19(17-24(23)33-4-2)18-28-29-26(31)25(30)20-8-6-5-7-9-20/h5-15,17-18,25,30H,3-4,16H2,1-2H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,22,2,21,32,31,33,30,34,16,7,9,6,10,15,3,18,23,17,29,8,5,14,19,28,26,11,24,25,35,27,12,20,4,13/E:(6,7)(8,9)(11,12)(13,14)/rA:35cCCCOCCCCCCCOOCCCCCCOCCCNNCOCCCCCCCO/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;d30;s31;d32;d29s33;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈N₂O₆
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7205
Area:	720.485
Solvation:	-7.29167
Coulombic:	-72.8981

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	13
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.08
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