TL;DR: N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide (CAS 1040879-27-3) is a chemical compound with molecular formula C32H38N6O3S and molecular weight 586.2726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
Also Known As: N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide, F0920-6279, N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide, N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)acetamide
| Molecular Formula | C32H38N6O3S |
| Molecular Weight | 586.2726 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.2726 Da |
| Heavy Atoms | 42 |
| Complexity | 1060.0 |
| SMILES | CN(C1CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)N5CCN(CC5)C6=CC=CC=C6 |
| InChIKey | OIVFUPHRGAFEKH-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide is 1040879-27-3.
The molecular formula of N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide is C32H38N6O3S.
The molecular weight of N-cyclohexyl-N-methyl-2-({3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide is 586.2726 g/mol.
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