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

• ChemBase ID: 188935
• 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)CC)CC
• Canonical SMILES: CCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)CC)CC
• InChI: InChI=1S/C21H27N3O2/c1-4-19-11-22-13-20(5-2,17(19)25)14-23(12-19)21(22)15-9-7-8-10-16(15)24(6-3)18(21)26/h7-10H,4-6,11-14H2,1-3H3/t19-,20+,21?
• InChIKey: FRXTUAULRKGENB-WCRBZPEASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244845
• PubChem CID: 1427602

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4501407
• LogD (pH = 7.4): 3.5027637
• 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

• Classification: Derivatives & analogs of Natural Compounds