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Chemical ID: 6652502
Chemical ID:
6652502
Name [?]:
N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3)O
InChi [?]:
InChI=1/C21H22N4O6/c1-30-15-6-7-18(26)14(12-15)13-22-24-20(28)19(27)23-17-5-3-2-4-16(17)21(29)25-8-10-31-11-9-25/h2-7,12-13,26H,8-11H2,1H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,4,5,26,30,27,29,8,9,7,3,22,17,6,14,12,23,10,16,11,25,31,15,13,24,2,28/E:(8,9)(10,11)/rA:31nCOCCCCCCCNNCOCONCCCCCCCONCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;s27;s28;s25s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N4O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85568 |
Area: | 643.347 |
Solvation: | -7.228 |
Coulombic: | -91.095 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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