8-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 660883
• Molecular Formular: C26H30N4O3S
• Molecular Mass: 478.6064
• Monoisotopic Mass: 478.20386184
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1nc3c(s1)cccc3)CC2)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1nc2c(s1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C26H30N4O3S/c1-33-17-7-14-30-25(32)29(18-20-8-3-2-4-9-20)24(31)26(30)12-15-28(16-13-26)19-23-27-21-10-5-6-11-22(21)34-23/h2-6,8-11H,7,12-19H2,1H3
• InChIKey: UREWUXVDEPKLLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(1,3-benzothiazol-2-ylmethyl)-3-benzyl-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7387671
• LogD (pH = 7.4): 2.446248
• Log P: 2.9274077
• Molar Refractivity: 131.8622 cm^3
• Polarizability: 52.33253 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.9
• LOG S: -4.07
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7