ChemDB: Chemical Search
Download
Chemical ID: 6531807
Chemical ID:
6531807
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5OC
InChi [?]:
InChI=1/C33H32N2O4/c1-33(2,3)23-16-18-24(19-17-23)34(30(36)25-12-5-6-15-28(25)39-4)20-9-21-35-31(37)26-13-7-10-22-11-8-14-27(29(22)26)32(35)38/h5-8,10-19H,9,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,39,34,35,20,26,13,21,27,33,19,25,36,6,10,7,9,12,14,22,5,8,32,18,24,37,23,30,16,28,2,11,15,31,17,29,38/E:(1,2,3)(7,8)(10,11)(13,14)(16,17)(18,19)(26,27)(31,32)(37,38)/rA:39nCCCCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s15s24;d28;s11;d30;s30;s32;d33;s34;d35;d32s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H32N2O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5858 |
Area: | 743.828 |
Solvation: | -5.00989 |
Coulombic: | -54.5729 |
Bond Count [?]
All: | 43 |
Single: | 29 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 520.618 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 7.41 |
LogP (Chemaxon): | 5.75 |
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 |
---|