N-[(2-methoxyphenyl)methyl]-N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide

• ChemBase ID: 705519
• Molecular Formular: C18H26N6O3
• Molecular Mass: 374.43744
• Monoisotopic Mass: 374.20663872
• SMILES: c1(n(nnn1)CCC(=O)N(Cc1c(OC)cccc1)C)CN1CCOCC1
• Canonical SMILES: COc1ccccc1CN(C(=O)CCn1nnnc1CN1CCOCC1)C
• InChI: InChI=1S/C18H26N6O3/c1-22(13-15-5-3-4-6-16(15)26-2)18(25)7-8-24-17(19-20-21-24)14-23-9-11-27-12-10-23/h3-6H,7-14H2,1-2H3
• InChIKey: KKTNRHWRVXXNFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-N-methyl-3-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]propanamide
• Synonyms: N-(2-methoxybenzyl)-N-methyl-3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.019339116
• LogD (pH = 7.4): 0.07029203
• Log P: 0.07098189
• Molar Refractivity: 113.9542 cm^3
• Polarizability: 38.65744 Å^3
• Polar Surface Area: 85.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.45
• LOG S: -0.24
• Polar Surface Area: 85.61 Å^2
• Rotatable Bonds: 7