(5's,7'r)-5-bromo-1,5',7'-trimethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase ID: 184686
• Molecular Formular: C18H20BrN3O2
• Molecular Mass: 390.2743
• Monoisotopic Mass: 389.0738889
• SMILES: [C@@]12(C(=O)N(c3c1cc(cc3)Br)C)N1C[C@]3(C(=O)[C@](CN2C3)(C1)C)C
• Canonical SMILES: Brc1ccc2c(c1)[C@@]1(N3C[C@]4(CN1C[C@@](C3)(C4=O)C)C)C(=O)N2C
• InChI: InChI=1S/C18H20BrN3O2/c1-16-7-21-9-17(2,14(16)23)10-22(8-16)18(21)12-6-11(19)4-5-13(12)20(3)15(18)24/h4-6H,7-10H2,1-3H3/t16-,17+,18-
• InChIKey: ZSJABAGIXNQZOL-BCDXTJNWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7'r)-5-bromo-1,5',7'-trimethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione
• IUPAC Traditional name: (5's,7'r)-5-bromo-1,5',7'-trimethyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

Database IDs

• PubChem SID: 164240596
• PubChem CID: 1114626

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0254402
• LogD (pH = 7.4): 3.0262744
• Log P: 3.026285
• Molar Refractivity: 94.311 cm^3
• Polarizability: 36.612244 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds