6-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 742296
• Molecular Formular: C12H17N3O3
• Molecular Mass: 251.28168
• Monoisotopic Mass: 251.12699142
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N1[C@H](COCC1)CC
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1ccc(=O)n(n1)C
• InChI: InChI=1S/C12H17N3O3/c1-3-9-8-18-7-6-15(9)12(17)10-4-5-11(16)14(2)13-10/h4-5,9H,3,6-8H2,1-2H3/t9-/m0/s1
• InChIKey: VFBDBRMXHKKOOP-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methylpyridazin-3-one
• Synonyms: 6-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-2-methylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.24737896
• LogD (pH = 7.4): 0.24737908
• Log P: 0.24737908
• Molar Refractivity: 66.7619 cm^3
• Polarizability: 25.03527 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.36
• LOG S: -1.18
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 2