Name: Name:8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1H,2H,4H,5H,7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one
Brand: Angene
SKU: AG01EMOJ
Rating: 90 (10 reviews)

8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1H,2H,4H,5H,7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one

CAS No.:

243973-19-5

Catalog Number:

AG01EMOJ

Molecular Formula:

C18H24N2O3

Molecular Weight:

316.3948

Catalog Number:

AG01EMOJ

Chemical Name:

8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1H,2H,4H,5H,7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one

CAS Number:

243973-19-5

Molecular Formula:

C18H24N2O3

Molecular Weight:

316.3948

MDL Number:

MFCD31616833

IUPAC Name:

8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-7-one

InChI:

InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,21H,4-9H2,1-3H3

InChI Key:

YWZBGRYDSPLRHR-UHFFFAOYSA-N

SMILES:

CCc1cc(C)cc(c1c1c(O)n2n(c1=O)CCOCC2)CC

Complexity:

477

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.401g/mol

Monoisotopic Mass:

316.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1