ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7707805

CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)OCC

Chemical ID:

7707805

Name [?]:

None

SMILES [?]:

CCN(CC)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)OCC

InChi [?]:

InChI=1/C28H31N5O4/c1-4-33(5-2)22-15-11-20(12-16-22)19-29-32-28(36)27(35)31-25-10-8-7-9-24(25)26(34)30-21-13-17-23(18-14-21)37-6-3/h7-19H,4-6H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,5,37,2,4,36,23,22,24,21,8,10,30,34,7,11,31,33,12,9,29,6,32,25,20,26,17,15,13,28,19,14,3,27,18,16,35/E:(1,2)(4,5)(11,12)(13,14)(15,16)(17,18)/rA:37nCCNCCCCCCCCCNNCOCONCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₁N₅O₄
All Atoms:	68
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	14.4745
Area:	805.723
Solvation:	-5.66855
Coulombic:	-79.4312

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	14
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.82
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