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

• ChemBase ID: 492545
• Molecular Formular: C25H33N3O2
• Molecular Mass: 407.54842
• Monoisotopic Mass: 407.25727731
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC1CC=CCC1)CC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)CC1CCC=CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C25H33N3O2/c1-2-27-24(30)28(22-16-20-10-6-7-11-21(20)17-22)23(29)25(27)12-14-26(15-13-25)18-19-8-4-3-5-9-19/h3-4,6-7,10-11,19,22H,2,5,8-9,12-18H2,1H3
• InChIKey: GRSZIINNPCGRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclohex-3-en-1-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-(cyclohex-3-en-1-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(3-cyclohexen-1-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): 0.017615525
• LogD (pH = 7.4): 0.95679784
• Log P: 3.4740443
• Molar Refractivity: 120.288 cm^3
• Polarizability: 46.10362 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.46
• LOG S: -5.17
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3