10-[3-(dimethylamino)-2-methylpropyl]-10H-5λ6,10-phenothiazine-5,5-dione

• ChemBase ID: 130372
• Molecular Formular: C18H22N2O2S
• Molecular Mass: 330.44448
• Monoisotopic Mass: 330.14019895
• SMILES: O=S1(=O)c2ccccc2N(c2c1cccc2)CC(C)CN(C)C
• Canonical SMILES: CN(CC(CN1c2ccccc2S(=O)(=O)c2c1cccc2)C)C
• InChI: InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
• InChIKey: QTQPVLDZQVPLGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-[3-(dimethylamino)-2-methylpropyl]-10H-5λ^6,10-phenothiazine-5,5-dione
• IUPAC Traditional name: oxomemazine
• Synonyms: Oxomemazine

Database IDs

• CAS Number: 3689-50-7
• PubChem SID: 162224651
• PubChem CID: 19396
• ATC CODE: R06AD08
• Chemspider ID: 18281
• KEGG ID: D07401
• Unique Ingredient Identifier: 305MB38V1C
• Wikipedia Title: Oxomemazine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6969377
• LogD (pH = 7.4): 2.4624517
• Log P: 3.1763644
• Molar Refractivity: 94.216 cm^3
• Polarizability: 37.37391 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true