4-(3,4-dimethoxybenzoyl)-2-(naphthalen-1-ylmethyl)morpholine

• ChemBase ID: 689640
• Molecular Formular: C24H25NO4
• Molecular Mass: 391.4596
• Monoisotopic Mass: 391.17835829
• SMILES: N1(C(=O)c2cc(c(cc2)OC)OC)CC(Cc2c3c(ccc2)cccc3)OCC1
• Canonical SMILES: COc1cc(ccc1OC)C(=O)N1CCOC(C1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C24H25NO4/c1-27-22-11-10-19(15-23(22)28-2)24(26)25-12-13-29-20(16-25)14-18-8-5-7-17-6-3-4-9-21(17)18/h3-11,15,20H,12-14,16H2,1-2H3
• InChIKey: UKRPJQYDWCASEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dimethoxybenzoyl)-2-(naphthalen-1-ylmethyl)morpholine
• IUPAC Traditional name: 4-(3,4-dimethoxybenzoyl)-2-(naphthalen-1-ylmethyl)morpholine
• Synonyms: 4-(3,4-dimethoxybenzoyl)-2-(1-naphthylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7997732
• LogD (pH = 7.4): 3.7997735
• Log P: 3.7997735
• Molar Refractivity: 112.4187 cm^3
• Polarizability: 44.47053 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.93
• LOG S: -4.45
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3