7-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 841975
• Molecular Formular: C17H23N3O2S
• Molecular Mass: 333.44842
• Monoisotopic Mass: 333.15109799
• SMILES: c1(nc(sc1)C)C(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: Cc1scc(n1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C17H23N3O2S/c1-12-18-14(10-23-12)15(21)20-8-6-17(11-20)5-2-7-19(16(17)22)9-13-3-4-13/h10,13H,2-9,11H2,1H3
• InChIKey: RJFYTWGZSSKTTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1714281
• LogD (pH = 7.4): 1.1714324
• Log P: 1.1714324
• Molar Refractivity: 88.7618 cm^3
• Polarizability: 33.88712 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.81
• LOG S: -3.2
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3