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Chemical ID: 7706410

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OCC)OCc3ccc(cc3)Cl

Chemical ID:

7706410

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OCC)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C28H31ClN2O4/c1-3-5-6-21-9-14-25(15-10-21)34-20-28(32)31-30-18-23-11-16-26(27(17-23)33-4-2)35-19-22-7-12-24(29)13-8-22/h7-18H,3-6,19-20H2,1-2H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,26,2,25,3,4,30,34,6,10,19,31,33,7,9,20,23,17,28,12,5,29,18,32,8,21,22,13,35,16,15,14,24,11,27/E:(7,8)(9,10)(12,13)(14,15)/rA:35nCCCCCCCCCCOCCONNCCCCCCCOCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21;s27;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₁ClN₂O₄
All Atoms:	66
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	11.5134
Area:	826.318
Solvation:	-9.1445
Coulombic:	-42.5144

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	14
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.03
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