TL;DR: 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 1024210-12-5) is a chemical compound with molecular formula C26H23F6N3S and molecular weight 523.1517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide, (4-(DIPHENYLMETHYL)PIPERAZINYL)((3,5-BIS(TRIFLUOROMETHYL)PHENYL)AMINO)METHANE-1-THIONE, N-[3,5-bis(trifluoromethyl)phenyl]-4-(diphenylmethyl)piperazine-1-carbothioamide, 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarbothioamide, C26H23F6N3S
| Molecular Formula | C26H23F6N3S |
| Molecular Weight | 523.1517 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.1517 Da |
| Heavy Atoms | 36 |
| Complexity | 669.0 |
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F |
| InChIKey | FPUWRZVXZZTLJU-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 1024210-12-5.
The molecular formula of 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C26H23F6N3S.
The molecular weight of 4-benzhydryl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 523.1517 g/mol.
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