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Chemical ID: 6650559
Chemical ID:
6650559
Name [?]:
N-[(5-allyloxy-2-bromo-phenyl)methyleneamino]-N'-(4-fluorophenyl)-oxamide
SMILES [?]:
C=CCOc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)F)Br
InChi [?]:
InChI=1/C18H15BrFN3O3/c1-2-9-26-15-7-8-16(19)12(10-15)11-21-23-18(25)17(24)22-14-5-3-13(20)4-6-14/h2-8,10-11H,1,9H2,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,23,20,24,6,7,3,10,11,9,22,19,5,8,16,14,26,25,12,18,13,17,15,4/E:(3,4)(5,6)/rA:26nCCCOCCCCCCCNNCOCONCCCCCCFBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrFN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88269 |
Area: | 585.16 |
Solvation: | -4.74631 |
Coulombic: | -56.4161 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.233 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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