TL;DR: (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione (CAS 1212448-01-5) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.12772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione
Also Known As: (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione, (R)-4a-methyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C17H18N4O5 |
| Molecular Weight | 358.12772 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 358.12772 Da |
| Heavy Atoms | 26 |
| Complexity | 669.0 |
| SMILES | C[C@]12CCCCN1C3=C(CC24C(=O)NC(=O)NC4=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZDGMVPSDEKWDII-MRXNPFEDSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione. Following Lipinski's Rule of Five, (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione has 2 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 (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is 1212448-01-5.
The molecular formula of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is C17H18N4O5.
The molecular weight of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is 358.12772 g/mol.
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