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Chemical ID: 4298129
Chemical ID:
4298129
Name [?]:
N-[(3-allyloxyphenyl)methyleneamino]-N'-(3-bromophenyl)-oxamide
SMILES [?]:
C=CCOc1cccc(c1)C=NNC(=O)C(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C18H16BrN3O3/c1-2-9-25-16-8-3-5-13(10-16)12-20-22-18(24)17(23)21-15-7-4-6-14(19)11-15/h2-8,10-12H,1,9H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,21,8,22,20,6,3,10,24,11,9,23,19,5,16,14,25,12,18,13,17,15,4/rA:25nCCCOCCCCCCCNNCOCONCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8473 |
Area: | 588.72 |
Solvation: | -3.87068 |
Coulombic: | -53.8244 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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