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Chemical ID: 6631561
Chemical ID:
6631561
Name [?]:
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(4-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)NC(=O)C(=O)NN=Cc3ccc(cc3)O
InChi [?]:
InChI=1/C22H17BrN4O4/c23-15-7-9-16(10-8-15)25-20(29)18-3-1-2-4-19(18)26-21(30)22(31)27-24-13-14-5-11-17(28)12-6-14/h1-13,28H,(H,25,29)(H,26,30)(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,26,30,12,14,11,15,27,29,24,25,13,10,28,5,4,7,18,20,16,23,9,17,22,31,8,19,21/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCCCCCONCCCCCCBrNCOCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17BrN4O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8224 |
Area: | 657.682 |
Solvation: | -4.61967 |
Coulombic: | -82.366 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 481.299 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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