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Chemical ID: 7467944
Chemical ID:
7467944
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-[(4-isopropylphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)c1ccc(cc1)C=NNC(=O)COc2ccc(cc2Br)C(C)(C)C
InChi [?]:
InChI=1/C22H27BrN2O2/c1-15(2)17-8-6-16(7-9-17)13-24-25-21(26)14-27-20-11-10-18(12-19(20)23)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,6,8,5,9,19,18,21,10,15,2,7,4,20,22,17,13,24,23,11,12,14,16/E:(1,2)(3,4,5)(6,7)(8,9)/rA:27nCCCCCCCCCCNNCOCOCCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27BrN2O2 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6281 |
Area: | 650.639 |
Solvation: | -5.63786 |
Coulombic: | -27.89 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 431.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.7 |
LogP (Chemaxon): | 6.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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