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Chemical ID: 6647049
Chemical ID:
6647049
Name [?]:
N'-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]-N-(m-tolyl)oxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C17H17N3O4/c1-11-4-3-5-13(8-11)19-16(22)17(23)20-18-10-12-6-7-14(21)15(9-12)24-2/h3-10,21H,1-2H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,4,3,5,17,18,7,21,15,2,16,6,19,20,9,11,14,8,13,24,10,12,22/rA:24nCCCCCCCNCOCONNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2221 |
Area: | 544.542 |
Solvation: | -5.39146 |
Coulombic: | -66.9619 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.335 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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