ChemDB: Chemical Search
Download
Chemical ID: 4574685
Chemical ID:
4574685
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H27NO4/c1-18(2)20-10-12-21(13-11-20)26-25-27(31)23-6-4-5-7-24(23)34-28(25)29(32)30(26)17-16-19-8-14-22(33-3)15-9-19/h4-15,18,26H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,34,16,17,15,18,28,32,5,9,6,8,29,31,26,25,2,27,4,7,30,14,19,11,10,12,21,22,24,13,23,33,20/E:(1,2)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9043 |
Area: | 698.3 |
Solvation: | -4.55321 |
Coulombic: | -45.1301 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 453.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.63 |
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 |
---|