TL;DR: 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide (CAS 1023509-39-8) is a chemical compound with molecular formula C29H26ClN5O3S and molecular weight 559.1445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
Also Known As: 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide, F6548-3981, 2-((2-(2-(benzylamino)-2-oxoethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)-N-(4-chlorophenyl)butanamide, 2-({2-[(benzylcarbamoyl)methyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(4-chlorophenyl)butanamide
| Molecular Formula | C29H26ClN5O3S |
| Molecular Weight | 559.1445 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.1445 Da |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=CC=C5 |
| InChIKey | HVSPWGNSWPQGPT-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide. Following Lipinski's Rule of Five, 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is 1023509-39-8.
The molecular formula of 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is C29H26ClN5O3S.
The molecular weight of 2-[[2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is 559.1445 g/mol.
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