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Chemical ID: 7707696

COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

Chemical ID:

7707696

Name [?]:

None

SMILES [?]:

COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

InChi [?]:

InChI=1/C27H20ClN3O5/c1-35-24-15-17(9-14-23(24)36-27(34)19-10-12-20(28)13-11-19)16-29-31-26(33)25(32)30-22-8-4-6-18-5-2-3-7-21(18)22/h2-16H,1H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,35,34,29,36,30,33,28,6,13,17,14,16,7,4,19,5,31,12,15,32,27,8,3,24,22,10,18,20,26,21,25,23,11,2,9/E:(10,11)(12,13)/rA:36nCOCCCCCCOCOCCCCCCClCNNCOCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;w19;s20;s21;d22;s22;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₀ClN₃O₅
All Atoms:	56
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	13.8821
Area:	770.462
Solvation:	-5.37945
Coulombic:	-73.9019

Bond Count [?]

All:	39
Single:	24
Double:	15
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.06
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