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Chemical ID: 7707519

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3cccc4c3cccc4

Chemical ID:

7707519

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3cccc4c3cccc4

InChi [?]:

InChI=1/C28H25ClN2O4/c1-2-33-27-16-21(12-15-26(27)34-18-20-10-13-23(29)14-11-20)17-30-31-28(32)19-35-25-9-5-7-22-6-3-4-8-24(22)25/h3-17H,2,18-19H2,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,2,34,33,28,35,29,32,27,13,17,7,14,16,8,5,19,11,24,12,6,30,15,31,26,9,4,22,18,20,21,23,3,10,25/E:(10,11)(13,14)/rA:35nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₅ClN₂O₄
All Atoms:	60
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	10.378
Area:	783.535
Solvation:	-9.21037
Coulombic:	-42.7767

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.26
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