TL;DR: N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide (CAS 1040411-31-1) is a chemical compound with molecular formula C22H21N5O4S2 and molecular weight 483.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide
Also Known As: N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide
| Molecular Formula | C22H21N5O4S2 |
| Molecular Weight | 483.1035 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.1035 Da |
| Heavy Atoms | 33 |
| Complexity | 788.0 |
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)NC2CCN3C(C2)C(=O)N(C3=O)C4=CC=CC5=NSN=C54 |
| InChIKey | CXYUNDHLKJCJEG-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide. The TPSA of 158.0 Ų indicates high polarity, suggesting N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide is 1040411-31-1.
The molecular formula of N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide is C22H21N5O4S2.
The molecular weight of N-[2-(2,1,3-benzothiadiazol-4-yl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-methoxy-4-methylsulfanylbenzamide is 483.1035 g/mol.
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