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Chemical ID: 7467949
Chemical ID:
7467949
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-(1-naphthylmethyleneamino)acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C23H23BrN2O2/c1-23(2,3)18-11-12-21(20(24)13-18)28-15-22(27)26-25-14-17-9-6-8-16-7-4-5-10-19(16)17/h4-14H,15H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,26,21,28,22,20,25,6,7,10,18,13,23,19,5,24,9,8,14,2,11,17,16,15,12/E:(1,2,3)/rA:28nCCCCCCCCCCBrOCCONNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23BrN2O2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90923 |
Area: | 626.427 |
Solvation: | -5.75144 |
Coulombic: | -28.3895 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 439.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.56 |
LogP (Chemaxon): | 6.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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