ChemDB: Chemical Search
Download
Chemical ID: 5859281
Chemical ID:
5859281
Name [?]:
N-[1-[(3,4-diethoxyphenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-methyl-benzamide
SMILES [?]:
CCOc1ccc(cc1OCC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C24H31N3O4/c1-6-30-20-13-10-18(14-21(20)31-7-2)15-25-27-24(29)22(16(3)4)26-23(28)19-11-8-17(5)9-12-19/h8-16,22H,6-7H2,1-5H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,12,20,21,31,2,11,27,29,6,26,30,5,8,13,19,28,7,25,4,9,18,23,16,14,22,15,24,17,3,10/E:(3,4)(8,9)(11,12)/rA:31cCCOCCCCCCOCCCNNCOCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;s15;d16;s16;s18;s19;s19;s18;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5062 |
Area: | 691.144 |
Solvation: | -6.77241 |
Coulombic: | -56.2403 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 425.521 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|