Chemical ID: 6668151

CCOc1ccc(cc1)NC(=O)Oc2cc(c(cc2Br)C)C
Chemical ID:
6668151
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) (4-ethoxyphenyl)aminoformate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)Oc2cc(c(cc2Br)C)C
InChi [?]:
InChI=1/C17H18BrNO3/c1-4-21-14-7-5-13(6-8-14)19-17(20)22-16-10-12(3)11(2)9-15(16)18/h5-10H,4H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,2,6,8,5,9,18,15,17,16,7,4,19,14,11,20,10,12,3,13/E:(5,6)(7,8)/rA:22nCCOCCCCCCNCOOCCCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6891
Area:528.169
Solvation:-2.5151
Coulombic:-41.8746
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.234
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):5.5

Name Annotations

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Descriptor Annotations

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