Chemical ID: 6562672

CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccccc2Br
Chemical ID:
6562672
Name [?]:
ethyl 4-[2-(2-bromobenzoyl)oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C18H16BrNO5/c1-2-24-17(22)12-7-9-13(10-8-12)20-16(21)11-25-18(23)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,7,11,8,10,15,6,9,19,24,13,4,17,25,12,14,5,18,3,16/E:(7,8)(9,10)/rA:25nCCOCOCCCCCCNCOCOCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrNO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7103
Area:587.873
Solvation:-3.98653
Coulombic:-61.0578
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:406.227
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):3.36

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Experimental Annotations

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Descriptor Annotations

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