ChemDB: Chemical Search
Download
Chemical ID: 5739155
Chemical ID:
5739155
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)OC(=O)c2cccc(c2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
InChi [?]:
InChI=1/C33H25NO4/c1-18-9-7-16-26(19(18)2)38-33(37)20-10-8-11-21(17-20)34-31(35)29-27-22-12-3-4-13-23(22)28(30(29)32(34)36)25-15-6-5-14-24(25)27/h3-17,27-30H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,25,26,36,37,4,14,3,13,15,24,27,35,38,5,17,2,7,12,16,23,28,34,33,6,22,29,21,30,19,31,10,18,20,32,11,9/E:(3,4,5,6)(12,13,14,15)(22,23,24,25)(27,28)(29,30)(31,32)(35,36)/rA:38cCCCCCCCCOCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;s18s30;d31;s29;s22s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H25NO4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.6609 |
Area: | 695.552 |
Solvation: | -3.72794 |
Coulombic: | -47.0166 |
Bond Count [?]
All: | 44 |
Single: | 29 |
Double: | 15 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 499.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.31 |
LogP (Chemaxon): | 6.37 |
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 |
---|