IUPAC Name: [2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2,,5-dihydropyrazol-

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	446.45198 [g/mol]
Molecular Formula	C25H22N2O6
XLogP	5.1
H-Bond Donor	3
H-Bond Acceptor	7
Rotatable Bond Count	7
Tautomer Count	12
Exact Mass	446.147786
MonoIsotopic Mass	446.147786
Topological Polar Surface Area	108
Heavy Atom Count	33
Formal Charge	0
Complexity	714
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: [2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2,
5-dihydropyrazol-1-yl]-2-oxoethyl] 2,4-dihydroxybenzoate
Canonical SMILES: COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4
Isomeric SMILES: COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)COC(=O)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4
InChI: InChI=1/C25H22N2O6/c1-32-19-10-7-17(8-11-19)22-14-21(16-5-3-2-4-6-16)26-
27(22)24(30)15-33-25(31)20-12-9-18(28)13-23(20)29/h2-14,22,26,28-29H,
15H2,1H3/t22-/m0/s1