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

• ChemBase ID: 188837
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C12(C(=O)N(c3c2cccc3)C)N2C[C@@]3(C(=O)[C@](C2)(CN1C3)C(C)C)C(C)C
• Canonical SMILES: O=C1N(C)c2c(C31N1C[C@]4(CN3C[C@@](C1)(C4=O)C(C)C)C(C)C)cccc2
• InChI: InChI=1S/C22H29N3O2/c1-14(2)20-10-24-12-21(15(3)4,18(20)26)13-25(11-20)22(24)16-8-6-7-9-17(16)23(5)19(22)27/h6-9,14-15H,10-13H2,1-5H3/t20-,21+,22?
• InChIKey: RMVXDKVIIXQLSA-CBQGHPETSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244747
• PubChem CID: 1425212

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6083217
• LogD (pH = 7.4): 3.7190962
• Log P: 3.720708
• Molar Refractivity: 104.9874 cm^3
• Polarizability: 41.191208 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