TL;DR: 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- (CAS 149401-16-1) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.09647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-11-(2-morpholin-4-ylethoxyamino)benzo[c][1]benzazepine-6-thione
Also Known As: 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)-, 2-chloro-11-(2-morpholin-4-ylethoxyamino)benzo[c][1]benzazepine-6-thione, (11E)-2-chloro-11-(2-morpholinoethoxyimino)-5H-benzo[c][1]benzazepine-6-thione, 2-Chloro-11-{[2-(morpholin-4-yl)ethoxy]amino}-6H-dibenzo[b,e]azepine-6-thione, 11H-Dibenz[b,e]azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-[2-(4-morpholinyl)ethyl]oxime, (E)-
| Molecular Formula | C20H20ClN3O2S |
| Molecular Weight | 401.09647 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.09647 Da |
| Heavy Atoms | 27 |
| Complexity | 710.0 |
| SMILES | C1COCCN1CCONC2=C3C=C(C=CC3=NC(=S)C4=CC=CC=C42)Cl |
| InChIKey | CFBSHTMVWNFUMR-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)-. Following Lipinski's Rule of Five, 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- is 149401-16-1.
The molecular formula of 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- is C20H20ClN3O2S.
The molecular weight of 11H-Dibenz(b,e)azepin-11-one, 2-chloro-5,6-dihydro-6-thioxo-, O-(2-(4-morpholinyl)ethyl)oxime, (E)- is 401.09647 g/mol.
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