ChemDB: Chemical Search
Download
Chemical ID: 5857364
Chemical ID:
5857364
Name [?]:
3-chloro-N-[1-[(3-methoxy-4-propoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C23H28ClN3O4/c1-5-11-31-19-10-9-16(12-20(19)30-4)14-25-27-23(29)21(15(2)3)26-22(28)17-7-6-8-18(24)13-17/h6-10,12-15,21H,5,11H2,1-4H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,21,12,2,27,26,28,7,6,3,9,30,13,19,8,25,29,5,10,18,23,16,31,14,22,15,24,17,11,4/E:(2,3)/rA:31cCCCOCCCCCCOCCNNCOCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;s15;d16;s16;s18;s19;s19;s18;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28ClN3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6168 |
Area: | 700.802 |
Solvation: | -6.9033 |
Coulombic: | -56.521 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 445.939 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.4 |
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 |
---|