N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide

• ChemBase ID: 369265
• Molecular Formular: C30H35NO7S
• Molecular Mass: 553.6664
• Monoisotopic Mass: 553.21342347
• SMILES: S(=O)(=O)(c1cc(ccc1OC)OC)N(CC1OCCC1)Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(S(=O)(=O)c1cc(OC)ccc1OC)CC1CCCO1
• InChI: InChI=1S/C30H35NO7S/c1-34-24-11-13-28(35-2)30(18-24)39(32,33)31(20-25-9-6-14-37-25)19-21-10-12-27(29(15-21)36-3)38-26-16-22-7-4-5-8-23(22)17-26/h4-5,7-8,10-13,15,18,25-26H,6,9,14,16-17,19-20H2,1-3H3
• InChIKey: DUPPEPAXXGIDBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-2,5-dimethoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.651796
• LogD (pH = 7.4): 4.651796
• Log P: 4.651796
• Molar Refractivity: 149.0768 cm^3
• Polarizability: 58.684692 Å^3
• Polar Surface Area: 83.53 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 5.13
• LOG S: -4.29
• Polar Surface Area: 83.53 Å^2
• Rotatable Bonds: 7