TL;DR: N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide (CAS 1028067-25-5) is a chemical compound with molecular formula C29H25FN4O4S and molecular weight 544.1581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-[5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide, F0921-6358, N-benzyl-3-[5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C29H25FN4O4S |
| Molecular Weight | 544.1581 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.1581 Da |
| Heavy Atoms | 39 |
| Complexity | 973.0 |
| SMILES | C1C2=C(C(=CC(=C2)F)CSC3=NC4=CC=CC=C4C5=NC(C(=O)N53)CCC(=O)NCC6=CC=CC=C6)OCO1 |
| InChIKey | NYYDECWBUIRMKA-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide. Following Lipinski's Rule of Five, N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 1028067-25-5.
The molecular formula of N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is C29H25FN4O4S.
The molecular weight of N-benzyl-3-(5-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 544.1581 g/mol.
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