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Chemical ID: 7704065

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3ccc(cc3)Cl

Chemical ID:

7704065

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3ccc(cc3)Cl

InChi [?]:

InChI=1/C26H25ClN2O6/c1-4-33-21-10-6-19(7-11-21)26(31)35-23-14-5-18(15-24(23)32-3)16-28-29-25(30)17(2)34-22-12-8-20(27)9-13-22/h5-17H,4H2,1-3H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,27,20,2,15,6,8,31,33,5,9,30,34,14,17,21,26,16,7,32,4,29,13,18,24,10,35,22,23,25,11,19,3,28,12/E:(6,7)(8,9)(10,11)(12,13)/rA:35cCCOCCCCCCCOOCCCCCCOCCNNCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O₆
All Atoms:	60
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7911
Area:	763.35
Solvation:	-8.29263
Coulombic:	-61.7658

Bond Count [?]

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

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.31
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