TL;DR: N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide (CAS 1022787-55-8) is a chemical compound with molecular formula C29H29N5O3S2 and molecular weight 559.1712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethylphenyl)-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
Also Known As: N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide, F6548-3900, N-(4-ethylphenyl)-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
| Molecular Formula | C29H29N5O3S2 |
| Molecular Weight | 559.1712 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 559.1712 Da |
| Heavy Atoms | 39 |
| Complexity | 980.0 |
| SMILES | CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=CS5 |
| InChIKey | KPBFGTCZLONSCL-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is 1022787-55-8.
The molecular formula of N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is C29H29N5O3S2.
The molecular weight of N-(4-ethylphenyl)-2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide is 559.1712 g/mol.
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