8-(2-ethylpyrimidine-5-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 823194
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cnc(nc1)CC)CC2)CCCCCC
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1cnc(nc1)CC
• InChI: InChI=1S/C20H30N4O3/c1-3-5-6-7-10-24-15-20(27-19(24)26)8-11-23(12-9-20)18(25)16-13-21-17(4-2)22-14-16/h13-14H,3-12,15H2,1-2H3
• InChIKey: DCBNVSAUSNWPAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-ethylpyrimidine-5-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-ethylpyrimidine-5-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2-ethylpyrimidin-5-yl)carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1424134
• LogD (pH = 7.4): 2.1424253
• Log P: 2.1424255
• Molar Refractivity: 103.1875 cm^3
• Polarizability: 39.397995 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.14
• LOG S: -3.76
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 7