LAS 17177

This chemical is called LAS 17177, and its systematic name is 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide. With the molecular formula of C₂₁H₃₀N₄O₄. The CAS registry number of this chemical is 67135-13-1. Additionally, its classification code is drug / Therapeutic Agent.

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 29.03; (7)ACD/KOC (pH 5.5): 4.66; (8)ACD/KOC (pH 7.4): 171.44; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 81.84 Ų; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 111.02 cm³; (15)Molar Volume: 323.2 cm³; (16)Polarizability: 44.01× 10^-24 cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 304.5 °C; (20)Enthalpy of Vaporization: 86.75 kJ/mol; (21)Boiling Point: 579.8 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1cc(c(OCC)cc1N)C(=O)NC3CCN(CC2CC\C=C/C2)CC3
2.InChI: InChI=1/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
3.InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYAA
4.Std. InChI: InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
5.Std. InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYSA-N 

The toxicity data is as follows: