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Chemical ID: 6433150
Chemical ID:
6433150
Name [?]:
N'-(3,4-dimethylphenyl)-N-[(3-ethoxy-4-propoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
CCCOc1ccc(cc1OCC)C=NNC(=O)C(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C22H27N3O4/c1-5-11-29-19-10-8-17(13-20(19)28-6-2)14-23-25-22(27)21(26)24-18-9-7-15(3)16(4)12-18/h7-10,12-14H,5-6,11H2,1-4H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,29,28,2,12,24,7,23,6,3,27,9,14,25,26,8,22,5,10,19,17,15,21,16,20,18,11,4/rA:29nCCCOCCCCCCOCCCNNCOCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;w14;s15;s16;d17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.69 |
Area: | 667.689 |
Solvation: | -6.00218 |
Coulombic: | -58.5652 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 397.468 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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