Chemical ID: 6668045

Cc1ccc(c(c1)NC(=O)Oc2cc(c(cc2Br)C)C)OC
Chemical ID:
6668045
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) (2-methoxy-5-methyl-phenyl)aminoformate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)Oc2cc(c(cc2Br)C)C)OC
InChi [?]:
InChI=1/C17H18BrNO3/c1-10-5-6-15(21-4)14(7-10)19-17(20)22-16-9-12(3)11(2)8-13(16)18/h5-9H,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,22,3,4,7,16,13,2,15,14,17,6,5,12,9,18,8,10,21,11/rA:22nCCCCCCCNCOOCCCCCCBrCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5679
Area:515.327
Solvation:-2.31527
Coulombic:-42.6298
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.234
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.04
LogP (Chemaxon):5.62

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Descriptor Annotations

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