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Chemical ID: 6045609

CC(=O)NC1C(C2C(COC(O2)c3ccccc3)OC1OCc4ccccc4)OCC=C

Chemical ID:

6045609

Name [?]:

N-(10-allyloxy-8-benzyloxy-3-phenyl-2,4,7-trioxabicyclo[4.4.0]dec-9-yl)acetamide

SMILES [?]:

CC(=O)NC1C(C2C(COC(O2)c3ccccc3)OC1OCc4ccccc4)OCC=C

InChi [?]:

InChI=1/C25H29NO6/c1-3-14-28-23-21(26-17(2)27)25(29-15-18-10-6-4-7-11-18)31-20-16-30-24(32-22(20)23)19-12-8-5-9-13-19/h3-13,20-25H,1,14-16H2,2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:32,1,31,26,16,25,27,15,17,24,28,14,18,30,22,9,2,23,13,8,5,7,6,11,20,4,3,29,21,10,19,12/E:(6,7)(8,9)(10,11)(12,13)/rA:32cCCONCCCCCOCOCCCCCCOCOCCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;s11;s13;d14;s15;d16;d13s17;s8;s5s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s6;s29;s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉NO₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	6

ZAP Information [?]

Total:	10.4666
Area:	688.662
Solvation:	-6.74993
Coulombic:	-68.8653

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	439.501
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.94
LogP (Chemaxon):	3.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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