Chemical ID: 6556248

CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
Chemical ID:
6556248
Name [?]:
(3-bromophenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C19H20BrNO3/c1-19(2,3)14-9-7-13(8-10-14)18(23)24-12-17(22)21-16-6-4-5-15(20)11-16/h4-11H,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,19,7,9,6,10,23,14,8,5,22,18,15,11,2,24,17,16,12,13/E:(1,2,3)(7,8)(9,10)/rA:24nCCCCCCCCCCCOOCCONCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20BrNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2886
Area:573.354
Solvation:-3.0453
Coulombic:-42.8483
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.271
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.31
LogP (Chemaxon):5.1

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