Chemical ID: 6668113

Cc1cc(c(cc1Br)C)OC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
6668113
Name [?]:
(4-bromo-2,5-dimethyl-phenyl) (4-isopropylphenyl)aminoformate
SMILES [?]:
Cc1cc(c(cc1Br)C)OC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20BrNO2/c1-11(2)14-5-7-15(8-6-14)20-18(21)22-17-10-12(3)16(19)9-13(17)4/h5-11H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,9,16,18,15,19,6,3,20,2,5,17,14,7,4,11,8,13,12,10/E:(1,2)(5,6)(7,8)/rA:22nCCCCCCCBrCOCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20BrNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.9338
Area:526.807
Solvation:-1.2364
Coulombic:-35.8419
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.67
LogP (Chemaxon):6.6

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