TL;DR: 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate (CAS 1005115-94-5) is a chemical compound with molecular formula C24H28N4O2S2 and molecular weight 468.16537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-[(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] 3,5-dimethylpiperidine-1-carbodithioate
Also Known As: 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate, [(5-OXO-7-PHENYL-5,6,7,8-TETRAHYDROQUINAZOLIN-2-YL)CARBAMOYL]METHYL 3,5-DIMETHYLPIPERIDINE-1-CARBODITHIOATE, [2-oxo-2-[(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] 3,5-dimethylpiperidine-1-carbodithioate, 2-[(3,5-dimethylpiperidyl)thioxomethylthio]-N-(5-oxo-7-phenyl(6,7,8-trihydroqu inazolin-2-yl))acetamide, 2-oxo-2-((5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino)ethyl 3,5-dimethylpiperidine-1-carbodithioate
| Molecular Formula | C24H28N4O2S2 |
| Molecular Weight | 468.16537 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.16537 Da |
| Heavy Atoms | 32 |
| Complexity | 689.0 |
| SMILES | CC1CC(CN(C1)C(=S)SCC(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=CC=C4)C |
| InChIKey | IJLJBGRTNQEFOG-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate. Following Lipinski's Rule of Five, 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate is 1005115-94-5.
The molecular formula of 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate is C24H28N4O2S2.
The molecular weight of 2-oxo-2-[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl 3,5-dimethylpiperidine-1-carbodithioate is 468.16537 g/mol.
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