(1R,5R)-N,N-dimethyl-6-(4-methyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 499240
• Molecular Formular: C15H22N4O2S
• Molecular Mass: 322.42578
• Monoisotopic Mass: 322.14634696
• SMILES: c1(C(=O)N2[C@H]3CN(C(=O)N(C)C)C[C@@H](C2)CC3)c(ncs1)C
• Canonical SMILES: O=C(N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)c1scnc1C)N(C)C
• InChI: InChI=1S/C15H22N4O2S/c1-10-13(22-9-16-10)14(20)19-7-11-4-5-12(19)8-18(6-11)15(21)17(2)3/h9,11-12H,4-8H2,1-3H3/t11-,12+/m0/s1
• InChIKey: LIEYJORLOLEVPK-NWDGAFQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-(4-methyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-(4-methyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.04826711
• LogD (pH = 7.4): -0.048252907
• Log P: -0.048252724
• Molar Refractivity: 85.1266 cm^3
• Polarizability: 32.099266 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.32
• LOG S: -2.59
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 1