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Chemical ID: 4149283
Chemical ID:
4149283
Name [?]:
ethyl 3-[2-(2-bromophenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)COc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrNO4/c1-2-22-17(21)12-6-5-7-13(10-12)19-16(20)11-23-15-9-4-3-8-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,8,7,9,21,18,11,15,6,10,22,17,13,4,23,12,14,5,3,16/rA:23nCCOCOCCCCCCNCOCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16BrNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6897 |
Area: | 551.412 |
Solvation: | -5.0956 |
Coulombic: | -48.2576 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.217 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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