Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate (518048-02-7)

The Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate, with the cas registry number 518048-02-7, has the systematic name of Carbamic acid, N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]-, phenylmethyl ester. The molecular formula of the chemical is C₂₄H₂₅FN₄O₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4) #H bond acceptors: 9; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 9; (7)Polar Surface Area: 120.33 Å²; (8)Index of Refraction: 1.602; (9)Molar Refractivity: 123.27 cm³; (10)Molar Volume: 359.1 cm³; (11)Polarizability: 48.86×10^-24cm³; (12)Surface Tension: 47.7 dyne/cm; (13)Density: 1.3 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)CNC(=O)C=2\N=C(/N(C)C(=O)C=2O)C(C)(C)NC(=O)OCc3ccccc3
(2)InChI: InChI=1/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)
(3)InChIKey: YSQDMQRPJOGQNV-UHFFFAOYAN