ChemDB: Chemical Search
Download
Chemical ID: 4506964
Chemical ID:
4506964
Name [?]:
1-(3,5-dimethylpyrazol-1-yl)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-propan-2-ol
SMILES [?]:
Cc1ccc2c(c1)c(c(n2CC(Cn3c(cc(n3)C)C)O)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C29H29N3O/c1-20-14-15-27-26(16-20)28(23-10-6-4-7-11-23)29(24-12-8-5-9-13-24)31(27)18-25(33)19-32-22(3)17-21(2)30-32/h4-17,25,33H,18-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,31,25,30,32,24,26,29,33,23,27,3,4,7,16,11,13,2,17,15,28,22,12,6,5,8,9,18,10,14,21/E:(6,7)(8,9)(10,11)(12,13)/rA:33cCCCCCCCCCNCCCNCCCNCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s13;s14;d15;s16;s14d17;s17;s15;s12;s9;s22;d23;s24;d25;d22s26;s8;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29N3O |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7276 |
Area: | 660.815 |
Solvation: | -4.79278 |
Coulombic: | -29.354 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 435.56 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.82 |
LogP (Chemaxon): | 6.25 |
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 |
---|