3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 691369
• Molecular Formular: C23H30N4O4S
• Molecular Mass: 458.5737
• Monoisotopic Mass: 458.19877646
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nccs1)CC2)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1nccs1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C23H30N4O4S/c1-30-15-14-26-21(28)23(8-12-25(13-9-23)17-20-24-10-16-32-20)27(22(26)29)11-7-18-3-5-19(31-2)6-4-18/h3-6,10,16H,7-9,11-15,17H2,1-2H3
• InChIKey: GHQTVKUHZHTLTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.1577598
• LogD (pH = 7.4): 1.3152541
• Log P: 1.5170048
• Molar Refractivity: 122.3527 cm^3
• Polarizability: 47.37848 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.46
• LOG S: -3.03
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 7