TL;DR: N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CAS 1042727-30-9) is a chemical compound with molecular formula C29H26FN5O4S and molecular weight 559.16895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-fluorophenyl)methyl]-3-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide, F6548-3711, N-[(4-fluorophenyl)methyl]-3-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C29H26FN5O4S |
| Molecular Weight | 559.16895 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 559.16895 Da |
| Heavy Atoms | 40 |
| Complexity | 993.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)NCC5=CC=C(C=C5)F |
| InChIKey | GYFAMHHWJPUYSD-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide. Following Lipinski's Rule of Five, N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 1042727-30-9.
The molecular formula of N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is C29H26FN5O4S.
The molecular weight of N-[(4-fluorophenyl)methyl]-3-[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 559.16895 g/mol.
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