2,3-Diazaspiro[4.5]decane-1,4-dione,2-phenyl- (16418-56-7)

The 2-Phenyl-2,3-diazaspiro[4.5]decane-1,4-dione, with the CAS registry number 16418-56-7, has the systematic name of 2,3-diazaspiro[4.5]decane-1,4-dione, 2-phenyl-. And the molecular formula of the chemical is C₁₄H₁₆N₂O₂.

The characteristics of 2-Phenyl-2,3-diazaspiro[4.5]decane-1,4-dione are as followings: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.47; (6)ACD/BCF (pH 7.4): 37.24; (7)ACD/KOC (pH 5.5): 465.59; (8)ACD/KOC (pH 7.4): 462.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.41 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 67.48 cm³; (15)Molar Volume: 192.6 cm³; (16)Polarizability: 26.75×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.26 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)N2C(=O)C3(CCCCC3)C(=O)N2
(2)InChI: InChI=1/C14H16N2O2/c17-12-14(9-5-2-6-10-14)13(18)16(15-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,17)
(3)InChIKey: MUSDGDGZYDTPPU-UHFFFAOYAW