ChemDB: Chemical Search
Download
Chemical ID: 4898994
Chemical ID:
4898994
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
InChi [?]:
InChI=1/C28H27NO6/c1-17(2)12-14-34-22-11-10-18(15-23(22)32-3)25-24-26(30)20-8-4-5-9-21(20)35-27(24)28(31)29(25)16-19-7-6-13-33-19/h4-11,13,15,17,25H,12,14,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,21,22,33,32,20,23,9,8,4,34,5,11,30,2,10,31,19,24,7,12,16,15,17,26,27,29,18,28,13,35,6,25/E:(1,2)/rA:35cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27NO6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.79279 |
Area: | 714.898 |
Solvation: | -8.07966 |
Coulombic: | -55.9473 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 473.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.41 |
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 |
---|