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

• ChemBase ID: 184384
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: [C@@]12(C(=O)N(c3c1cccc3)Cc1ccccc1)N1C[C@]3(C(=O)[C@](CN2C3)(C1)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)[C@@]13c2ccccc2N(C1=O)Cc1ccccc1
• InChI: InChI=1S/C24H25N3O2/c1-22-13-25-15-23(2,20(22)28)16-26(14-22)24(25)18-10-6-7-11-19(18)27(21(24)29)12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3/t22-,23+,24-
• InChIKey: DWJDGOVIFATAQU-BKFWDETESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240294
• PubChem CID: 654492

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.963955
• LogD (pH = 7.4): 3.9817736
• Log P: 3.9820054
• Molar Refractivity: 111.3008 cm^3
• Polarizability: 43.42032 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