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Chemical ID: 7332959

c1ccc(cc1)CNC(=O)c2cccc(c2)OCC(=O)Nc3ccccc3Oc4ccccc4

Chemical ID:

7332959

Name [?]:

N-benzyl-3-[(2-phenoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2cccc(c2)OCC(=O)Nc3ccccc3Oc4ccccc4

InChi [?]:

InChI=1/C28H24N2O4/c31-27(30-25-16-7-8-17-26(25)34-23-13-5-2-6-14-23)20-33-24-15-9-12-22(18-24)28(32)29-19-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,29,32)(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,32,2,6,31,33,24,25,13,3,5,12,30,34,14,23,26,16,7,18,4,11,29,15,22,27,19,9,8,21,20,10,17,28/E:(3,4)(5,6)(10,11)(13,14)/rA:34nCCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₄
All Atoms:	58
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4664
Area:	729.449
Solvation:	-5.76988
Coulombic:	-61.2929

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.501
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	4.98

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