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Chemical ID: 6652514
Chemical ID:
6652514
Name [?]:
N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide
SMILES [?]:
COc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3
InChi [?]:
InChI=1/C21H22N4O6/c1-30-17-8-4-5-14(18(17)26)13-22-24-20(28)19(27)23-16-7-3-2-6-15(16)21(29)25-9-11-31-12-10-25/h2-8,13,26H,9-12H2,1H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,21,20,5,6,22,19,4,27,31,28,30,10,7,23,18,3,8,15,13,24,11,17,12,26,9,16,14,25,2,29/E:(9,10)(11,12)/rA:31nCOCCCCCCOCNNCOCONCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N4O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74656 |
Area: | 645.711 |
Solvation: | -7.39623 |
Coulombic: | -91.9921 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.423 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 10 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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