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Chemical ID: 7704638

COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(c4ccccc4)O

Chemical ID:

7704638

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(c4ccccc4)O

InChi [?]:

InChI=1/C27H22N2O5/c1-33-21-14-11-20(12-15-21)27(32)34-24-16-13-18-7-5-6-10-22(18)23(24)17-28-29-26(31)25(30)19-8-3-2-4-9-19/h2-17,25,30H,1H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,17,18,16,29,33,19,5,7,14,4,8,13,22,15,28,6,3,20,21,12,27,25,9,23,24,34,26,10,2,11/E:(3,4)(8,9)(11,12)(14,15)/rA:34cCOCCCCCCCOOCCCCCCCCCCCNNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;w22;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂N₂O₅
All Atoms:	56
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	10.403
Area:	667.664
Solvation:	-6.2886
Coulombic:	-65.878

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.5
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