Chemical ID: 6617756

Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccccc2N
Chemical ID:
6617756
Name [?]:
(4-bromo-3-methyl-phenyl)carbamoylmethyl 2-aminobenzoate
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccccc2N
InChi [?]:
InChI=1/C16H15BrN2O3/c1-10-8-11(6-7-13(10)17)19-15(20)9-22-16(21)12-4-2-3-5-14(12)18/h2-8H,9,18H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,5,6,3,12,2,4,16,7,21,10,14,8,22,9,11,15,13/rA:22nCCCCCCCBrNCOCOCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.83591
Area:520.206
Solvation:-3.16923
Coulombic:-58.0403
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.206
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):3.8

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