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Chemical ID: 6671140
Chemical ID:
6671140
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) (4-isopropylphenyl)aminoformate
SMILES [?]:
Cc1cc(c(cc1C)Br)OC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20BrNO2/c1-11(2)14-5-7-15(8-6-14)20-18(21)22-17-10-13(4)12(3)9-16(17)19/h5-11H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,8,1,16,18,15,19,6,3,20,7,2,17,14,5,4,11,9,13,12,10/E:(1,2)(5,6)(7,8)/rA:22nCCCCCCCCBrOCONCCCCCCCCC/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: | 11.8786 |
Area: | 526.852 |
Solvation: | -1.29272 |
Coulombic: | -35.9258 |
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: | 6.09 |
LogP (Chemaxon): | 6.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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