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Chemical ID: 6882665

Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)Oc3ccccc3

Chemical ID:

6882665

Name [?]:

(4-phenoxyphenyl)carbamoylmethyl 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)Oc3ccccc3

InChi [?]:

InChI=1/C22H19NO4/c1-16-7-9-17(10-8-16)22(25)26-15-21(24)23-18-11-13-20(14-12-18)27-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,3,7,4,6,16,20,17,19,11,2,5,15,22,18,12,8,14,13,9,10,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOOCCONCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉NO₄
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9887
Area:	599.39
Solvation:	-3.99602
Coulombic:	-50.3903

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	361.391
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.61
LogP (Chemaxon):	4.57

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