Chemical ID: 4144300

CCCOC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2Br)C
Chemical ID:
4144300
Name [?]:
propyl 3-[2-(2-bromo-4-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2Br)C
InChi [?]:
InChI=1/C19H20BrNO4/c1-3-9-24-19(23)14-5-4-6-15(11-14)21-18(22)12-25-17-8-7-13(2)10-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,9,8,10,20,19,3,22,12,16,21,7,11,23,18,14,5,24,13,15,6,4,17/rA:25nCCCOCOCCCCCCNCOCOCCCCCCBrC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20BrNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0162
Area:603.84
Solvation:-5.07985
Coulombic:-48.5043
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:406.27
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.63
LogP (Chemaxon):4.49

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Descriptor Annotations

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