TL;DR: 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide (CAS 1024570-38-4) is a chemical compound with molecular formula C34H38N4O2S and molecular weight 566.27155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
Also Known As: 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
| Molecular Formula | C34H38N4O2S |
| Molecular Weight | 566.27155 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 566.27155 Da |
| Heavy Atoms | 41 |
| Complexity | 979.0 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N=C4N3CCCS4)C)C(=O)NC5=C(C=C(C=C5)C)C |
| InChIKey | NYUIHOQDHOFJNP-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide. Following Lipinski's Rule of Five, 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is 1024570-38-4.
The molecular formula of 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is C34H38N4O2S.
The molecular weight of 6-[4-[(4-butylbenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is 566.27155 g/mol.
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