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Chemical ID: 6575327

COc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(COc3ccc4c(c3)c5ccccc5o4)O

Chemical ID:

6575327

Name [?]:

N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxy-propyl)-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(COc3ccc4c(c3)c5ccccc5o4)O

InChi [?]:

InChI=1/C30H27NO5/c1-34-24-13-11-22(12-14-24)30(33)31(18-21-7-3-2-4-8-21)19-23(32)20-35-25-15-16-29-27(17-25)26-9-5-6-10-28(26)36-29/h2-17,23,32H,18-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,15,17,31,32,14,18,30,33,5,7,4,8,24,25,28,12,19,21,13,6,20,3,23,29,27,34,26,9,11,36,10,2,22,35/E:(3,4)(7,8)(11,12)(13,14)/rA:36cCOCCCCCCCONCCCCCCCCCCOCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;d30;s31;d32;d29s33;s26s34;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₇NO₅
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6837
Area:	726.632
Solvation:	-7.48211
Coulombic:	-58.3081

Bond Count [?]

All:	40
Single:	27
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	481.539
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.65
LogP (Chemaxon):	5.93

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

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Chemical Mix	Source	External ID	Descriptor	Value