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Chemical ID: 6487447
Chemical ID:
6487447
Name [?]:
3-amino-N-(4-amino-2-bromo-phenyl)-2-hydroxy-5-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)N)O)C(=O)Nc2ccc(cc2Br)N
InChi [?]:
InChI=1/C17H20BrN3O2/c1-17(2,3)9-6-11(15(22)13(20)7-9)16(23)21-14-5-4-10(19)8-12(14)18/h4-8,22H,19-20H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,6,10,20,5,19,7,21,9,16,8,13,2,22,23,11,15,12,14/E:(1,2,3)/rA:23nCCCCCCCCCCNOCONCCCCCCBrN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s7;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20BrN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1459 |
Area: | 528.134 |
Solvation: | -3.05748 |
Coulombic: | -70.8498 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.264 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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