ChemDB: Chemical Search
Download
Chemical ID: 5733829
Chemical ID:
5733829
Name [?]:
None
SMILES [?]:
CCC(C)(C)c1ccc(cc1)OC(=O)CCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C32H31NO4/c1-4-32(2,3)19-13-15-20(16-14-19)37-25(34)17-18-33-30(35)28-26-21-9-5-6-10-22(21)27(29(28)31(33)36)24-12-8-7-11-23(24)26/h5-16,26-29H,4,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,24,25,35,36,23,26,34,37,7,11,8,10,15,16,6,9,22,27,33,32,13,21,28,20,29,18,30,3,17,14,19,31,12/E:(2,3)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(21,22,23,24)(26,27)(28,29)(30,31)(35,36)/rA:37cCCCCCCCCCCCOCOCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s20s28;s17s29;d30;s28;s21s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H31NO4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.0344 |
Area: | 723.593 |
Solvation: | -4.0554 |
Coulombic: | -45.3532 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 493.593 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.99 |
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 |
---|