TL;DR: 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CAS 1043868-15-0) is a chemical compound with molecular formula C28H25ClN4O3S and molecular weight 532.1336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
Also Known As: 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide, BRD-A11922770-001-01-5, F6548-3742, 3-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
| Molecular Formula | C28H25ClN4O3S |
| Molecular Weight | 532.1336 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.1336 Da |
| Heavy Atoms | 37 |
| Complexity | 891.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl |
| InChIKey | LQQMAOYRNWSVSP-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide. Following Lipinski's Rule of Five, 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is 1043868-15-0.
The molecular formula of 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is C28H25ClN4O3S.
The molecular weight of 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is 532.1336 g/mol.
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