N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-4-(morpholin-4-yl)-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 401310
• Molecular Formular: C33H38N2O5
• Molecular Mass: 542.66522
• Monoisotopic Mass: 542.27807233
• SMILES: N(C(=O)c1ccc(N2CCOCC2)cc1)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1ccc(cc1)N1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C33H38N2O5/c1-37-32-19-24(8-13-31(32)40-30-20-26-5-2-3-6-27(26)21-30)22-35(23-29-7-4-16-39-29)33(36)25-9-11-28(12-10-25)34-14-17-38-18-15-34/h2-3,5-6,8-13,19,29-30H,4,7,14-18,20-23H2,1H3
• InChIKey: CJWDLZGLOZVIHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-4-(morpholin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-4-(morpholin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-4-(4-morpholinyl)-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.1012897
• LogD (pH = 7.4): 5.101291
• Log P: 5.101291
• Molar Refractivity: 156.574 cm^3
• Polarizability: 59.658947 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.29
• LOG S: -6.69
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 8