Chemical ID: 5479816

c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3
Chemical ID:
5479816
Name [?]:
phenylcarbamoylmethyl 4-phenoxybenzoate
SMILES [?]:
c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C21H17NO4/c23-20(22-17-7-3-1-4-8-17)15-25-21(24)16-11-13-19(14-12-16)26-18-9-5-2-6-10-18/h1-14H,15H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,3,5,22,26,15,19,16,18,10,14,4,21,17,8,12,7,9,13,11,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCNCOCOCOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2947
Area:579.083
Solvation:-4.18241
Coulombic:-50.3586
Bond Count [?]
All:28
Single:17
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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