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

• ChemBase ID: 193850
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: c1(c(n(c2c1cccc2)C)C)C1N2C[C@]3(C(=O)[C@](CN1C3)(C2)CCC)CCC
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1c(C)n(c2c1cccc2)C)CCC
• InChI: InChI=1S/C24H33N3O/c1-5-11-23-13-26-15-24(12-6-2,22(23)28)16-27(14-23)21(26)20-17(3)25(4)19-10-8-7-9-18(19)20/h7-10,21H,5-6,11-16H2,1-4H3/t21?,23-,24+
• InChIKey: YBZCNZRAIXTUAD-DIMPSALBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249760
• PubChem CID: 1426692

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.526731
• LogD (pH = 7.4): 5.011715
• Log P: 5.2160153
• Molar Refractivity: 114.5475 cm^3
• Polarizability: 45.8272 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds