TL;DR: Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- (CAS 143691-80-9) is a chemical compound with molecular formula C21H18F3N3O4 and molecular weight 433.12494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(7-acetyl-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]-2,2,2-trifluoroacetamide
Also Known As: Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro-, N-[4-(7-Acetyl-8-methyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]-2,2,2-trifluoroacetamide
| Molecular Formula | C21H18F3N3O4 |
| Molecular Weight | 433.12494 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.12494 Da |
| Heavy Atoms | 31 |
| Complexity | 736.0 |
| SMILES | CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)NC(=O)C(F)(F)F)OCO3 |
| InChIKey | AKIXUHGYYKCAAZ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro-. Following Lipinski's Rule of Five, Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- is 143691-80-9.
The molecular formula of Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- is C21H18F3N3O4.
The molecular weight of Acetamide, N-(4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-2,2,2-trifluoro- is 433.12494 g/mol.
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