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

• ChemBase ID: 194409
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C12(C(=O)N(c3c1cccc3)C)N1C[C@]3(C(=O)[C@](CN2C3)(C1)CCC)CCC
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C13c2ccccc2N(C1=O)C)CCC
• InChI: InChI=1S/C22H29N3O2/c1-4-10-20-12-24-14-21(11-5-2,18(20)26)15-25(13-20)22(24)16-8-6-7-9-17(16)23(3)19(22)27/h6-9H,4-5,10-15H2,1-3H3/t20-,21+,22?
• InChIKey: LAGSINYIHMOQCA-CBQGHPETSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250319
• PubChem CID: 1427604

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9782107
• LogD (pH = 7.4): 4.0350323
• Log P: 4.035807
• Molar Refractivity: 105.0922 cm^3
• Polarizability: 41.191208 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds