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

• ChemBase ID: 188848
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: [C@]12(C(=O)[C@]3(CN(C(c4cn(c5c4cccc5)C)N(C2)C3)C1)C(C)C)C(C)C
• Canonical SMILES: CC([C@]12CN3C[C@@](C2=O)(CN(C1)C3c1cn(c2c1cccc2)C)C(C)C)C
• InChI: InChI=1S/C23H31N3O/c1-15(2)22-11-25-13-23(16(3)4,21(22)27)14-26(12-22)20(25)18-10-24(5)19-9-7-6-8-17(18)19/h6-10,15-16,20H,11-14H2,1-5H3/t20?,22-,23+
• InChIKey: DCHHWWCDLKPIGJ-BRTIRZTQSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244758
• PubChem CID: 1427273

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.919513
• LogD (pH = 7.4): 4.4591513
• Log P: 4.701355
• Molar Refractivity: 109.293 cm^3
• Polarizability: 44.06297 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds