(5s,7s)-5,7-dimethyl-2-(1-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 192450
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(C2N3C[C@@]4(C(=O)[C@](C3)(CN2C4)C)C)cn(c2c1cccc2)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1cn(c2c1cccc2)C
• InChI: InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3/t16?,18-,19+
• InChIKey: OILSUAOPHMBUFP-JLYLLQBASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-5,7-dimethyl-2-(1-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1r,5R,7S)-5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164248360
• PubChem CID: 742446

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1834717
• LogD (pH = 7.4): 3.1850338
• Log P: 3.2381794
• Molar Refractivity: 90.9938 cm^3
• Polarizability: 36.67773 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds