ChemDB: Chemical Search
Download
Chemical ID: 4598316
Chemical ID:
4598316
Name [?]:
None
SMILES [?]:
COc1ccccc1N2C(=O)c3cccc4c3c(ccc4C(=O)NCCc5ccc(c(c5)OC)OC)C2=O
InChi [?]:
InChI=1/C30H26N2O6/c1-36-24-10-5-4-9-23(24)32-29(34)21-8-6-7-19-20(12-13-22(27(19)21)30(32)35)28(33)31-16-15-18-11-14-25(37-2)26(17-18)38-3/h4-14,17H,15-16H2,1-3H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,36,34,6,5,14,15,13,7,4,28,20,19,29,26,25,32,27,16,21,12,18,8,3,30,31,17,22,10,37,24,9,23,11,38,2,35,33/rA:38nCOCCCCCCNCOCCCCCCCCCCCONCCCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;s9s18;d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3466 |
Area: | 750.212 |
Solvation: | -8.40869 |
Coulombic: | -70.8202 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 510.537 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.48 |
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 |
---|