TL;DR: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro- (CAS 115396-37-7) is a chemical compound with molecular formula C17H11N3O4 and molecular weight 321.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Also Known As: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro-, 6-Methyl-9-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one, 6-Methyl-9-nitro[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
| Molecular Formula | C17H11N3O4 |
| Molecular Weight | 321.07495 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.07495 Da |
| Heavy Atoms | 24 |
| Complexity | 624.0 |
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4=CC=CC=C4C3=O |
| InChIKey | LQFKDDPZRVMWFA-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro-. Following Lipinski's Rule of Five, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro- 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 (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro- is 115396-37-7.
The molecular formula of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro- is C17H11N3O4.
The molecular weight of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-methyl-9-nitro- is 321.07495 g/mol.
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