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

• ChemBase ID: 586108
• Molecular Formular: C23H30N4O4S
• Molecular Mass: 458.5737
• Monoisotopic Mass: 458.19877646
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nccs1)CC2)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1nccs1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C23H30N4O4S/c1-30-14-3-11-27-22(29)26(16-18-4-6-19(31-2)7-5-18)21(28)23(27)8-12-25(13-9-23)17-20-24-10-15-32-20/h4-7,10,15H,3,8-9,11-14,16-17H2,1-2H3
• InChIKey: YZCPJKGDKTWJDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(4-methoxybenzyl)-1-(3-methoxypropyl)-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): -0.3864613
• LogD (pH = 7.4): 1.0865526
• Log P: 1.2883034
• Molar Refractivity: 122.4631 cm^3
• Polarizability: 47.376404 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: 1.23
• LOG S: -2.22
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 7