TL;DR: ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate (CAS 1043868-27-4) is a chemical compound with molecular formula C25H26N4O5S and molecular weight 494.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate, BRD-A49158730-001-01-1, F6548-3759, ethyl 2-[[2-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
| Molecular Formula | C25H26N4O5S |
| Molecular Weight | 494.16238 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.16238 Da |
| Heavy Atoms | 35 |
| Complexity | 863.0 |
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CCC(=O)NCC4=CC=CC=C4OC |
| InChIKey | OWTWUCGIXIVBEJ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate is 1043868-27-4.
The molecular formula of ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate is C25H26N4O5S.
The molecular weight of ethyl 2-{[2-(2-{[(2-methoxyphenyl)methyl]carbamoyl}ethyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate is 494.16238 g/mol.
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