8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 422170
• Molecular Formular: C23H27N3O4
• Molecular Mass: 409.47818
• Monoisotopic Mass: 409.20015636
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1occc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1ccco1)C
• InChI: InChI=1S/C23H27N3O4/c1-24-22(28)26(17-18-7-9-19(29-2)10-8-18)21(27)23(24)11-14-25(15-12-23)13-3-5-20-6-4-16-30-20/h3-10,16H,11-15,17H2,1-2H3/b5-3+
• InChIKey: JWGILULFDWPCNV-HWKANZROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3-(4-methoxybenzyl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.13947
• LogD (pH = 7.4): 1.6074079
• Log P: 2.2135222
• Molar Refractivity: 114.7283 cm^3
• Polarizability: 43.73017 Å^3
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.1
• LOG S: -3.62
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 5