8-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 608137
• Molecular Formular: C24H32ClN5O4
• Molecular Mass: 489.99498
• Monoisotopic Mass: 489.21428221
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(n(nc1C)C)Cl)CC2)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1c(C)nn(c1Cl)C)Cc1cccc(c1)OC
• InChI: InChI=1S/C24H32ClN5O4/c1-17-20(21(25)27(2)26-17)16-28-10-8-24(9-11-28)22(31)29(23(32)30(24)12-13-33-3)15-18-6-5-7-19(14-18)34-4/h5-7,14H,8-13,15-16H2,1-4H3
• InChIKey: XJUXJILHDUIVNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-methoxybenzyl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.71016526
• LogD (pH = 7.4): 0.96356803
• Log P: 1.3746699
• Molar Refractivity: 141.3631 cm^3
• Polarizability: 50.01101 Å^3
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.0
• LOG S: -3.5
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 6