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Chemical ID: 7702356

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3O)O

Chemical ID:

7702356

Name [?]:

None

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3O)O

InChi [?]:

InChI=1/C25H24N2O6/c1-2-3-14-32-20-11-6-18(7-12-20)25(31)33-21-9-4-17(5-10-21)16-26-27-24(30)22-13-8-19(28)15-23(22)29/h4-13,15-16,28-29H,2-3,14H2,1H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,17,19,8,10,28,16,20,7,11,27,4,30,21,18,9,29,6,15,26,31,24,12,22,23,33,32,25,13,5,14/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCOCCCCCCCOOCCCCCCCNNCOCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₆
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9171
Area:	740.467
Solvation:	-7.59457
Coulombic:	-77.8959

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.38
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