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

• ChemBase ID: 213043
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C12(C(=O)N(c3c1cccc3)C)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)C
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cccc2)C)C
• InChI: InChI=1S/C19H23N3O2/c1-4-18-11-21-9-17(2,15(18)23)10-22(12-18)19(21)13-7-5-6-8-14(13)20(3)16(19)24/h5-8H,4,9-12H2,1-3H3/t17-,18+,19?
• InChIKey: WDLXTABTDKVXFB-DFNIBXOVSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164268953
• PubChem CID: 4966447

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.667873
• LogD (pH = 7.4): 2.701653
• Log P: 2.702101
• Molar Refractivity: 91.2892 cm^3
• Polarizability: 35.66633 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds