Compound Summary
Compound Information
BRL 15572
Compound Name: | BRL 15572 |
Compound CID: | 3654103 |
Synonyms: | BRL 15572 |
Iupac Name: | 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol |
InChI: | InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2 |
InChIKey: | QJHCTHPYUOXOGM-UHFFFAOYSA-N |
Canonical Smiles: | C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl |
Isomeric Smiles: | C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl |
Molecular Weight: | 406.9 |
Molecular Formula: | C25H27ClN2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BRL 15572
Molecular Weight: | 406.9 |
Molecular Formula: | C25H27ClN2O |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 29 |
Complexity: | 451 |
Synonyms
BRL 15572
Experimental Data
BRL 15572
Experimental Data Visualization
BRL 15572
Statistics Data
BRL 15572
Statistics Data Visualization
BRL 15572
