1-({5-[(3S)-3-ethylmorpholine-4-carbonyl]furan-2-yl}methyl)-1H-indole

• ChemBase ID: 569107
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: C(=O)(c1oc(Cn2ccc3c2cccc3)cc1)N1[C@H](COCC1)CC
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1ccc(o1)Cn1ccc2c1cccc2
• InChI: InChI=1S/C20H22N2O3/c1-2-16-14-24-12-11-22(16)20(23)19-8-7-17(25-19)13-21-10-9-15-5-3-4-6-18(15)21/h3-10,16H,2,11-14H2,1H3/t16-/m0/s1
• InChIKey: ZDOJYRZEQBYWLF-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({5-[(3S)-3-ethylmorpholine-4-carbonyl]furan-2-yl}methyl)-1H-indole
• IUPAC Traditional name: 1-({5-[(3S)-3-ethylmorpholine-4-carbonyl]furan-2-yl}methyl)indole
• Synonyms: 1-[(5-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-2-furyl)methyl]-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.018994
• LogD (pH = 7.4): 3.018994
• Log P: 3.018994
• Molar Refractivity: 95.8113 cm^3
• Polarizability: 37.599644 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -4.16
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 4