TL;DR: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one (CAS 1023584-45-3) is a chemical compound with molecular formula C34H35N7O3S and molecular weight 621.2522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
Also Known As: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one, F0920-6280, 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
| Molecular Formula | C34H35N7O3S |
| Molecular Weight | 621.2522 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 621.2522 Da |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC(=O)N6CCN(CC6)C7=CC=CC=C7 |
| InChIKey | VSGCDFNWDCQFAN-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one. Following Lipinski's Rule of Five, 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is 1023584-45-3.
The molecular formula of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is C34H35N7O3S.
The molecular weight of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-3-one is 621.2522 g/mol.
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