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Chemical ID: 4131001
Chemical ID:
4131001
Name [?]:
N'-[(5-bromo-2-methoxy-phenyl)methyleneamino]-N-(3-methoxyphenyl)-oxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2OC)Br
InChi [?]:
InChI=1/C17H16BrN3O4/c1-24-14-5-3-4-13(9-14)20-16(22)17(23)21-19-10-11-8-12(18)6-7-15(11)25-2/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,5,6,4,20,21,18,8,16,17,19,7,3,22,10,12,25,15,9,14,11,13,2,23/rA:25nCOCCCCCCNCOCONNCCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16BrN3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85705 |
Area: | 561.998 |
Solvation: | -5.1929 |
Coulombic: | -58.2207 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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