3-methyl-7-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 852751
• Molecular Formular: C15H21N3O3S
• Molecular Mass: 323.41054
• Monoisotopic Mass: 323.13036255
• SMILES: c1(sc(nc1C)C(C)C)C(=O)N1CC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: O=C1OC2(CN1C)CCN(C2)C(=O)c1sc(nc1C)C(C)C
• InChI: InChI=1S/C15H21N3O3S/c1-9(2)12-16-10(3)11(22-12)13(19)18-6-5-15(8-18)7-17(4)14(20)21-15/h9H,5-8H2,1-4H3
• InChIKey: TXOAHERUCJSFJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 7-(2-isopropyl-4-methyl-1,3-thiazole-5-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1256483
• LogD (pH = 7.4): 1.1257024
• Log P: 1.1257031
• Molar Refractivity: 82.557 cm^3
• Polarizability: 31.602053 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.17
• LOG S: -3.01
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2