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Chemical ID: 5390187

Cc1ccc(c(c1)C)C(=O)OCC(=O)Nc2ccc(cc2)OCc3ccccc3

Chemical ID:

5390187

Name [?]:

(4-benzyloxyphenyl)carbamoylmethyl 2,4-dimethylbenzoate

SMILES [?]:

Cc1ccc(c(c1)C)C(=O)OCC(=O)Nc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C24H23NO4/c1-17-8-13-22(18(2)14-17)24(27)29-16-23(26)25-20-9-11-21(12-10-20)28-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,8,27,26,28,25,29,3,17,21,18,20,4,7,23,12,2,6,24,16,19,5,13,9,15,14,10,22,11/E:(4,5)(6,7)(9,10)(11,12)/rA:29nCCCCCCCCCOOCCONCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃NO₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5999
Area:	649.619
Solvation:	-4.64058
Coulombic:	-50.4744

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	389.444
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.19
LogP (Chemaxon):	5.13

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