TL;DR: 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- (CAS 62143-26-4) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-one
Also Known As: Derivative, 7- -3- -2-benzopyrone, 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-, 7-(Diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-benzopyrone, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-one
| Molecular Formula | C21H19N3O2S |
| Molecular Weight | 377.1198 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1198 Da |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)C4=CC=CC=C4 |
| InChIKey | JBYNUUNOLLCWRY-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- is 62143-26-4.
The molecular formula of 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- is C21H19N3O2S.
The molecular weight of 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)- is 377.1198 g/mol.
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