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Chemical ID: 7021004
Chemical ID:
7021004
Name [?]:
N-[3-[(3-ethoxy-4-hydroxy-phenyl)methyleneaminocarbamoyl]propyl]-3,4-dimethoxy-benzamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)CCCNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C22H27N3O6/c1-4-31-19-12-15(7-9-17(19)26)14-24-25-21(27)6-5-11-23-22(28)16-8-10-18(29-2)20(13-16)30-3/h7-10,12-14,26H,4-6,11H2,1-3H3,(H,23,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,31,29,2,17,16,7,23,8,24,18,5,27,11,6,22,9,25,4,26,14,20,19,12,13,10,15,21,30,28,3/rA:31nCCOCCCCCCOCNNCOCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O6 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57189 |
Area: | 723.2 |
Solvation: | -10.5081 |
Coulombic: | -74.9054 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 429.466 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 3.18 |
LogP (Chemaxon): | 1.9 |
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.
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