ChemDB: Chemical Search
Download
Chemical ID: 4264695
Chemical ID:
4264695
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=CC2C3C(C1C4C2C(=O)N(C4=O)c5ccccc5C)C(=O)N(C3=O)c6ccccc6C
InChi [?]:
InChI=1/C29H26N2O6/c1-4-37-29(36)17-13-16-21-23(27(34)30(25(21)32)18-11-7-5-9-14(18)2)20(17)24-22(16)26(33)31(28(24)35)19-12-8-6-10-15(19)3/h5-13,16,20-24H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,37,2,22,34,21,33,23,35,20,32,7,24,36,8,6,19,31,11,13,9,12,10,14,29,17,26,4,16,28,15,30,18,27,5,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)(18,19)(21,22)(23,24)(25,26)(27,28)(30,31)(32,33)(34,35)/rA:37cCCOCOCCCCCCCCCONCOCCCCCCCCONCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;s11;s8s12;s13;d14;s14;s12s16;d17;s16;s19;d20;s21;d22;d19s23;s24;s10;d26;s26;s9s28;d29;s28;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O6 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.83741 |
Area: | 550.445 |
Solvation: | -5.92373 |
Coulombic: | -63.1653 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 498.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.38 |
LogP (Chemaxon): | 2.75 |
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 |
---|