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Chemical ID: 6596535

Cc1cccc(c1C)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3

Chemical ID:

6596535

Name [?]:

(2,3-dimethylphenyl)carbamoylmethyl 4-phenoxybenzoate

SMILES [?]:

Cc1cccc(c1C)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3

InChi [?]:

InChI=1/C23H21NO4/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-23(26)18-11-13-20(14-12-18)28-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,8,26,25,27,4,3,24,28,5,17,21,18,20,12,2,7,16,23,19,6,10,14,9,11,15,13,22/E:(4,5)(8,9)(11,12)(13,14)/rA:28nCCCCCCCCNCOCOCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁NO₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2665
Area:	616.3
Solvation:	-4.14101
Coulombic:	-50.0673

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	375.417
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.84
LogP (Chemaxon):	4.39

Name Annotations

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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