(3r,5'r)-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: 183520
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: [C@]12(C(=O)N(c3c1cccc3)C)N1CC3(C(=O)[C@](CN2C3)(C1)C)C
• Canonical SMILES: O=C1N(C)c2c([C@@]31N1CC4(CN3C[C@@](C1)(C4=O)C)C)cccc2
• InChI: InChI=1S/C18H21N3O2/c1-16-8-20-10-17(2,14(16)22)11-21(9-16)18(20)12-6-4-5-7-13(12)19(3)15(18)23/h4-7H,8-11H2,1-3H3/t16-,17?,18-
• InChIKey: SPVLWLRVLYBEGM-KFZAHXERSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3r,5'r)-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: (3r,5'r)-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: 164239430
• PubChem CID: 720481

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.234421
• LogD (pH = 7.4): 2.2572336
• Log P: 2.2575324
• Molar Refractivity: 86.6882 cm^3
• Polarizability: 33.825745 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