TL;DR: 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone (CAS 74911-43-6) is a chemical compound with molecular formula C19H15N5O4S and molecular weight 409.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylphenyl)imino-3-[(6-nitro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one
Also Known As: 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 6-nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-, 2-(2-methylphenyl)imino-3-[(6-nitro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one, BRN 4947612
| Molecular Formula | C19H15N5O4S |
| Molecular Weight | 409.08447 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.08447 Da |
| Heavy Atoms | 29 |
| Complexity | 751.0 |
| SMILES | CC1=CC=CC=C1N=C2N(C(=O)CS2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | ICSMVGFWGKRYMN-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone is 74911-43-6.
The molecular formula of 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone is C19H15N5O4S.
The molecular weight of 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone is 409.08447 g/mol.
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