8-(1-benzofuran-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 625244
• Molecular Formular: C27H29N3O3
• Molecular Mass: 443.53746
• Monoisotopic Mass: 443.2208918
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1oc3c(c1)cccc3)CC2)CC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cc2c(o1)cccc2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C27H29N3O3/c1-2-29-26(32)30(22-15-19-7-3-4-8-20(19)16-22)25(31)27(29)11-13-28(14-12-27)18-23-17-21-9-5-6-10-24(21)33-23/h3-10,17,22H,2,11-16,18H2,1H3
• InChIKey: BGGWAYXQNOXGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-benzofuran-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(1-benzofuran-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(1-benzofuran-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4615171
• LogD (pH = 7.4): 2.149223
• Log P: 3.5252805
• Molar Refractivity: 126.7576 cm^3
• Polarizability: 49.99691 Å^3
• Polar Surface Area: 57.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.81
• LOG S: -5.54
• Polar Surface Area: 57.0 Å^2
• Rotatable Bonds: 3