N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 770300
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: n1n(c2c(c1CNC(=O)CCN1OCCCC1)cc(cc2)C)C
• Canonical SMILES: O=C(NCc1nn(c2c1cc(C)cc2)C)CCN1CCCCO1
• InChI: InChI=1S/C17H24N4O2/c1-13-5-6-16-14(11-13)15(19-20(16)2)12-18-17(22)7-9-21-8-3-4-10-23-21/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,22)
• InChIKey: SZDPNQRLLNSQJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[(1,5-dimethylindazol-3-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.480967
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1061904
• LogD (pH = 7.4): 1.1068573
• Log P: 1.1068658
• Molar Refractivity: 100.3469 cm^3
• Polarizability: 35.590775 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.31
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5