(5's,7's)-1-ethyl-7'-methyl-5'-propyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase ID: 197550
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: C12(C(=O)N(c3c1cccc3)CC)N1C[C@@]3(C(=O)[C@@](CN2C3)(C1)CCC)C
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cccc2)CC)C
• InChI: InChI=1S/C21H27N3O2/c1-4-10-20-13-22-11-19(3,17(20)25)12-23(14-20)21(22)15-8-6-7-9-16(15)24(5-2)18(21)26/h6-9H,4-5,10-14H2,1-3H3/t19-,20+,21?
• InChIKey: URYYJKUOHPQBMY-WCRBZPEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-1-ethyl-7'-methyl-5'-propyl-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)-1-ethyl-7'-methyl-5'-propyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

Database IDs

• PubChem SID: 164253460
• PubChem CID: 1248099

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4659553
• LogD (pH = 7.4): 3.5029845
• Log P: 3.5034776
• Molar Refractivity: 100.6388 cm^3
• Polarizability: 39.34898 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds