Name: Name:7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-3-propyl-
Brand: Angene
SKU: AG001BO3
Rating: 90 (10 reviews)

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

CAS No.:

139755-95-6

Catalog Number:

AG001BO3

Molecular Formula:

C21H28N6O4S

Molecular Weight:

460.5498

Catalog Number:

AG001BO3

Chemical Name:

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

CAS Number:

139755-95-6

Molecular Formula:

C21H28N6O4S

Molecular Weight:

460.5498

MDL Number:

MFCD00908398

IUPAC Name:

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

InChI:

InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(25-24-16)21(28)23-20(22-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-26(3)10-12-27/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,25)(H,22,23,28)

InChI Key:

ZLJVUHMTFSCAGQ-UHFFFAOYSA-N

SMILES:

CCCc1n[nH]c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C

UNII:

P1243M9SVH

Complexity:

808

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

460.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

460.553g/mol

Monoisotopic Mass:

460.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5