N-[(1-hydroxycyclohexyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-(pyrazin-2-yl)phenoxy]acetamide

• ChemBase ID: 347382
• Molecular Formular: C24H32N4O4
• Molecular Mass: 440.53528
• Monoisotopic Mass: 440.24235552
• SMILES: c1(cc(c2nccnc2)ccc1OCC(=O)NCC1(O)CCCCC1)CN1CCOCC1
• Canonical SMILES: O=C(COc1ccc(cc1CN1CCOCC1)c1cnccn1)NCC1(O)CCCCC1
• InChI: InChI=1S/C24H32N4O4/c29-23(27-18-24(30)6-2-1-3-7-24)17-32-22-5-4-19(21-15-25-8-9-26-21)14-20(22)16-28-10-12-31-13-11-28/h4-5,8-9,14-15,30H,1-3,6-7,10-13,16-18H2,(H,27,29)
• InChIKey: VHARMEHOUGTDTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-hydroxycyclohexyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-(pyrazin-2-yl)phenoxy]acetamide
• IUPAC Traditional name: N-[(1-hydroxycyclohexyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-(pyrazin-2-yl)phenoxy]acetamide
• Synonyms: N-[(1-hydroxycyclohexyl)methyl]-2-[2-(4-morpholinylmethyl)-4-(2-pyrazinyl)phenoxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.845846
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 0.248865
• LogD (pH = 7.4): 1.0345721
• Log P: 1.0638556
• Molar Refractivity: 120.5884 cm^3
• Polarizability: 48.526497 Å^3
• Polar Surface Area: 96.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 2.02
• LOG S: -2.87
• Polar Surface Area: 96.81 Å^2
• Rotatable Bonds: 8