7-(cyclobutylmethyl)-2-{[4-(propan-2-yl)-1,2,3-thiadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 842878
• Molecular Formular: C19H30N4OS
• Molecular Mass: 362.5327
• Monoisotopic Mass: 362.2140326
• SMILES: c1(c(nns1)C(C)C)CN1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1snnc1C(C)C)CC1CCC1
• InChI: InChI=1S/C19H30N4OS/c1-14(2)17-16(25-21-20-17)12-22-10-8-19(13-22)7-4-9-23(18(19)24)11-15-5-3-6-15/h14-15H,3-13H2,1-2H3
• InChIKey: ZTSJIWDOKVVDBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-{[4-(propan-2-yl)-1,2,3-thiadiazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.26803735
• LogD (pH = 7.4): 2.0089107
• Log P: 3.1877668
• Molar Refractivity: 101.6316 cm^3
• Polarizability: 39.037903 Å^3
• Polar Surface Area: 49.33 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: 3.25
• LOG S: -4.62
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5