TL;DR: N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide (CAS 137918-94-6) is a chemical compound with molecular formula C25H22N4O2S and molecular weight 442.14636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[4-(dimethylamino)phenyl]-4-oxo-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-3-yl]benzamide
Also Known As: N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide, N-[2-(4-dimethylaminophenyl)-4-oxo-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-3-yl]benzamide, N-{2-[4-(Dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-[1,3]thiazino[3,2-a][1,3]benzimidazol-3-yl}benzenecarboximidic acid, N-{2-[4-(Dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-yl}benzenecarboximidic acid
| Molecular Formula | C25H22N4O2S |
| Molecular Weight | 442.14636 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.14636 Da |
| Heavy Atoms | 32 |
| Complexity | 689.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2C(C(=O)N3C4=CC=CC=C4N=C3S2)NC(=O)C5=CC=CC=C5 |
| InChIKey | KBICWOJDBVFPSX-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide. Following Lipinski's Rule of Five, N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide is 137918-94-6.
The molecular formula of N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide is C25H22N4O2S.
The molecular weight of N-(2-(4-(Dimethylamino)phenyl)-4-oxo-2,3-dihydro-(1,3)thiazino(3,2-a)benzimidazol-3-yl)benzamide is 442.14636 g/mol.
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