ChemDB: Chemical Search
Download
Chemical ID: 7441918
Chemical ID:
7441918
Name [?]:
None
SMILES [?]:
CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NCc4ccccc4)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C26H20ClNO4/c1-25(22(29)17-11-13-18(27)14-12-17)21-19-9-5-6-10-20(19)32-24(31)26(21,25)23(30)28-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,11,12,19,23,10,13,27,31,28,30,17,18,26,29,9,8,3,24,14,5,2,4,32,16,25,15,6,7/E:(3,4)(7,8)(11,12)(13,14)/rA:32cCCCCCOOCCCCCCCONCCCCCCCCOCCCCCCCl/rB:s1;s2;s2s3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s4;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s2;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20ClNO4 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.627 |
Area: | 643.358 |
Solvation: | -3.45697 |
Coulombic: | -49.6994 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 445.894 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.82 |
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 |
---|