(5s,7s)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 185485
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)c1cc(c(cc1)OC)OC)C2)C)C
• Canonical SMILES: COc1cc(ccc1OC)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)C)C
• InChI: InChI=1S/C18H24N2O3/c1-17-8-19-10-18(2,16(17)21)11-20(9-17)15(19)12-5-6-13(22-3)14(7-12)23-4/h5-7,15H,8-11H2,1-4H3/t15?,17-,18+
• InChIKey: UZHDQHDKASDUFZ-ZNXRZULTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1r,5R,7S)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164241395
• PubChem CID: 928999

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.367631
• LogD (pH = 7.4): 2.5965393
• Log P: 2.600399
• Molar Refractivity: 87.937 cm^3
• Polarizability: 34.713863 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds