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Chemical ID: 6621555
Chemical ID:
6621555
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-N'-(4-bromophenyl)-oxamide
SMILES [?]:
C=CCc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H16BrN3O3/c1-2-4-12-5-3-6-13(16(12)23)11-20-22-18(25)17(24)21-15-9-7-14(19)8-10-15/h2-3,5-11,23H,1,4H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,21,23,20,24,11,4,8,22,19,9,16,14,25,12,18,13,10,17,15/E:(7,8)(9,10)/rA:25nCCCCCCCCCOCNNCOCONCCCCCCBr/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0463 |
Area: | 578.755 |
Solvation: | -3.42257 |
Coulombic: | -62.7065 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.242 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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