2-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 491068
• Molecular Formular: C19H30N4O2S
• Molecular Mass: 378.5321
• Monoisotopic Mass: 378.20894722
• SMILES: c1(ncc(s1)CN1CC2(C(=O)N(CCC2)CCC)CC1)N1CCOCC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)Cc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C19H30N4O2S/c1-2-6-22-7-3-4-19(17(22)24)5-8-21(15-19)14-16-13-20-18(26-16)23-9-11-25-12-10-23/h13H,2-12,14-15H2,1H3
• InChIKey: UUVLDDFKBRDGGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.078109
• LogD (pH = 7.4): 0.5260628
• Log P: 2.1109076
• Molar Refractivity: 104.4551 cm^3
• Polarizability: 39.967316 Å^3
• Polar Surface Area: 48.91 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: 0.48
• LOG S: -2.37
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5