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Chemical ID: 7676512

CCOC(=O)C1=C(NC(=O)NC1c2ccc(c(c2)COC)OC)CN3CCCCC3c4ccccc4

Chemical ID:

7676512

Name [?]:

None

SMILES [?]:

CCOC(=O)C1=C(NC(=O)NC1c2ccc(c(c2)COC)OC)CN3CCCCC3c4ccccc4

InChi [?]:

InChI=1/C28H35N3O5/c1-4-36-27(32)25-22(17-31-15-9-8-12-23(31)19-10-6-5-7-11-19)29-28(33)30-26(25)20-13-14-24(35-3)21(16-20)18-34-2/h5-7,10-11,13-14,16,23,26H,4,8-9,12,15,17-18H2,1-3H3,(H2,29,30,33)

InChi Info:

AuxInfo=1/1/N:1,21,23,2,34,33,35,28,27,32,36,29,14,15,26,18,24,19,31,13,17,7,30,16,6,12,4,9,8,11,25,5,10,20,22,3/E:(6,7)(10,11)/rA:36cCCOCOCCNCONCCCCCCCCOCOCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s16;s22;s7;s24;s25;s26;s27;s28;s25s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₅N₃O₅
All Atoms:	71
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	11.9489
Area:	683.154
Solvation:	-5.12996
Coulombic:	-76.2912

Bond Count [?]

All:	39
Single:	30
Double:	9
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.16
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