TL;DR: 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide (CAS 1024618-30-1) is a chemical compound with molecular formula C24H28BrN3O4S2 and molecular weight 565.07043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7a-(4-bromophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
Also Known As: 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide, 7a-(4-bromophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
| Molecular Formula | C24H28BrN3O4S2 |
| Molecular Weight | 565.07043 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.07043 Da |
| Heavy Atoms | 34 |
| Complexity | 870.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2CSC3(N2C(=O)CC3)C4=CC=C(C=C4)Br)C |
| InChIKey | QLYAXWZZOWOQOR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide. Following Lipinski's Rule of Five, 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide is 1024618-30-1.
The molecular formula of 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide is C24H28BrN3O4S2.
The molecular weight of 7a-(4-Bromophenyl)-N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]hexahydro-5-oxopyrrolo[2,1-b]thiazole-3-carboxamide is 565.07043 g/mol.
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