(5's,7's)-5'-ethyl-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: 212910
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C12(C(=O)N(c3c1cc(cc3)C)C)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)C
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cc(C)cc2)C)C
• InChI: InChI=1S/C20H25N3O2/c1-5-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)6-7-15(14)21(4)17(20)25/h6-8H,5,9-12H2,1-4H3/t18-,19+,20?
• InChIKey: ZIGLKSZDRMYMDI-YOFSQIOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-5'-ethyl-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'-ethyl-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: 164268820
• PubChem CID: 4966172

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1766443
• LogD (pH = 7.4): 3.2150106
• Log P: 3.2155223
• Molar Refractivity: 96.3304 cm^3
• Polarizability: 37.43 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds