TL;DR: 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide (CAS 1322194-42-2) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
Also Known As: F1823-0027, 4-methyl-N-[(11E)-12-methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-11-ylidene]benzamide, 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide, (E)-4-methyl-N-(7-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)benzamide
| Molecular Formula | C17H14N2O3S |
| Molecular Weight | 326.0725 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.0725 Da |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)N=C2N(C3=CC4=C(C=C3S2)OCO4)C |
| InChIKey | AMDDEWQJUGSYQQ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide. Following Lipinski's Rule of Five, 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is 1322194-42-2.
The molecular formula of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is C17H14N2O3S.
The molecular weight of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide is 326.0725 g/mol.
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