Tadalafil

Compound Structure

CAS Number: 171596-29-5

Molecular Mass: 389.4 g/mol

Formula: C22H19N3O4

Smiles: CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Diethylene Glycol Monoethyl Ether 298.15 - 25.22 [460]
Diethylene Glycol Monoethyl Ether 303.15 - 27.91 [460]
Diethylene Glycol Monoethyl Ether 308.15 - 30.58 [460]
Diethylene Glycol Monoethyl Ether 313.15 - 33.89 [460]
Diethylene Glycol Monoethyl Ether 318.15 - 37.76 [460]
Diethylene Glycol Monoethyl Ether 323.15 - 42.17 [460]
Diethylene Glycol Monoethyl Ether 328.15 - 46.84 [460]
Diethylene Glycol Monoethyl Ether 333.15 - 51.2 [460]
Water 298.15 - 0.01237 [460]
Water 303.15 - 0.01633 [460]
Water 308.15 - 0.02192 [460]
Water 313.15 - 0.02874 [460]
Water 318.15 - 0.03746 [460]
Water 323.15 - 0.04827 [460]
Water 328.15 - 0.05902 [460]
Water 333.15 - 0.07332 [460]

Molecule 3D descriptors

Descriptor Value
PMI1 2894.3647
PMI2 3539.8491
PMI3 5816.6860
NPR1 0.4976
NPR2 0.6086
RadiusOfGyration 3.9661
InertialShapeFactor 0.0002
Eccentricity 0.8674
Asphericity 0.1884
SpherocityIndex 0.1802
PBF 0.8552