CAS: 172805-53-7

Risk Codes:

Safety:

RTECS :

DG0875000

The 1H-Pyrrole-2-carboxamide,N-[2-[(4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl)oxy]ethyl]-1-methyl-, with CAS registry number 172805-53-7, has the systematic name of N-{2-[(4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl)oxy]ethyl}-1-methyl-1H-pyrrole-2-carboxamide. And the chemical formula of this chemical is C₂₈H₂₆N₄O₆.

Physical properties of 1H-Pyrrole-2-carboxamide,N-[2-[(4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl)oxy]ethyl]-1-methyl-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 122.99 Å²; (7)Index of Refraction: 1.714; (8)Molar Refractivity: 136.665 cm³; (9)Molar Volume: 348.307 cm³; (10)Polarizability: 54.178×10^-24cm³; (11)Surface Tension: 61.474 dyne/cm; (12)Density: 1.477 g/cm³; (13)Flash Point: 536.242 °C; (14)Enthalpy of Vaporization: 146.926 kJ/mol; (15)Boiling Point: 963.064 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccn1C)NCCOc3cc2cc6c(nc2cc3)C=4N(C(=O)\C5=C(/C=4)C(O)(C(=O)OC5)CC)C6
(2)InChI: InChI=1/C28H26N4O6/c1-3-28(36)20-13-23-24-17(14-32(23)26(34)19(20)15-38-27(28)35)11-16-12-18(6-7-21(16)30-24)37-10-8-29-25(33)22-5-4-9-31(22)2/h4-7,9,11-13,36H,3,8,10,14-15H2,1-2H3,(H,29,33)
(3)InChIKey: GICKMDLIMJVZAV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C28H26N4O6/c1-3-28(36)20-13-23-24-17(14-32(23)26(34)19(20)15-38-27(28)35)11-16-12-18(6-7-21(16)30-24)37-10-8-29-25(33)22-5-4-9-31(22)2/h4-7,9,11-13,36H,3,8,10,14-15H2,1-2H3,(H,29,33)
(5)Std. InChIKey: GICKMDLIMJVZAV-UHFFFAOYSA-N