Name: Name:7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-
Brand: Angene
SKU: AG001BO4
Rating: 90 (10 reviews)

7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-

CAS No.:

139755-85-4

Catalog Number:

AG001BO4

Molecular Formula:

C23H32N6O5S

Molecular Weight:

504.6024

Catalog Number:

AG001BO4

Chemical Name:

7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-

CAS Number:

139755-85-4

Molecular Formula:

C23H32N6O5S

Molecular Weight:

504.6024

MDL Number:

MFCD00908400

IUPAC Name:

5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

InChI:

InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)

InChI Key:

NEYKRKVLEWKOBI-UHFFFAOYSA-N

SMILES:

CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C

UNII:

80X7B1F6NW

Complexity:

872

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

504.215g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

504.606g/mol

Monoisotopic Mass:

504.215g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

138A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8