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

• ChemBase ID: 211386
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C12(C(=O)N(c3c1cccc3)CC)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)C
• Canonical SMILES: CCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)CC)C
• InChI: InChI=1S/C20H25N3O2/c1-4-19-12-21-10-18(3,16(19)24)11-22(13-19)20(21)14-8-6-7-9-15(14)23(5-2)17(20)25/h6-9H,4-5,10-13H2,1-3H3/t18-,19+,20?
• InChIKey: ASGHEZRYOYZSEK-YOFSQIOKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164267296
• PubChem CID: 4838235

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0235832
• LogD (pH = 7.4): 3.058446
• Log P: 3.058909
• Molar Refractivity: 96.0378 cm^3
• Polarizability: 37.50733 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds