ChemDB: Chemical Search
Download
Chemical ID: 7334208
Chemical ID:
7334208
Name [?]:
1-benzhydrylamino-3-benzhydryloxy-propan-2-ol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NCC(COC(c3ccccc3)c4ccccc4)O
InChi [?]:
InChI=1/C29H29NO2/c31-27(21-30-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-32-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-31H,21-22H2
InChi Info:
AuxInfo=1/0/N:1,11,23,29,2,6,10,12,22,24,28,30,3,5,9,13,21,25,27,31,15,17,4,8,20,26,16,7,19,14,32,18/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(23,24)(25,26)/rA:32cCCCCCCCCCCCCCNCCCOCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29NO2 |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3022 |
Area: | 707.077 |
Solvation: | -5.37467 |
Coulombic: | -40.4354 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.546 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.53 |
LogP (Chemaxon): | 6.51 |
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 |
---|