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Chemical ID: 4569367

COCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5

Chemical ID:

4569367

Name [?]:

None

SMILES [?]:

COCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5

InChi [?]:

InChI=1/C26H29N3O3/c1-32-15-7-14-28-17-24(30)29-22(13-12-18-8-3-2-4-9-18)25-20(16-23(29)26(28)31)19-10-5-6-11-21(19)27-25/h2-6,8-11,22-23,27H,7,12-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,30,29,31,18,19,4,28,32,17,20,26,25,5,3,14,7,27,16,15,21,24,11,8,23,12,22,6,10,9,13,2/E:(3,4)(8,9)/rA:32cCOCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s6s11;d12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s10s23;s24;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	11.5601
Area:	648.271
Solvation:	-4.64663
Coulombic:	-54.2303

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	431.527
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.86
LogP (Chemaxon):	2.84

Name Annotations

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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