TL;DR: 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide (CAS 1037168-72-1) is a chemical compound with molecular formula C28H28N6O3S2 and molecular weight 560.16644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide, K279-0886, F6548-3802, 3-[5-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
| Molecular Formula | C28H28N6O3S2 |
| Molecular Weight | 560.16644 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 560.16644 Da |
| Heavy Atoms | 39 |
| Complexity | 980.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)NCC5=CC=CS5 |
| InChIKey | PPLNYYJKANXZDP-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is 1037168-72-1.
The molecular formula of 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is C28H28N6O3S2.
The molecular weight of 3-{5-[({[4-(dimethylamino)phenyl]carbamoyl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is 560.16644 g/mol.
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