Name: Name:tert-butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate
Brand: Angene
SKU: AG01BD8E
Rating: 90 (10 reviews)

tert-butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate

CAS No.:

951134-38-6

Catalog Number:

AG01BD8E

Molecular Formula:

C13H19N3O3

Molecular Weight:

265.3083

Catalog Number:

AG01BD8E

Chemical Name:

tert-butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate

CAS Number:

951134-38-6

Molecular Formula:

C13H19N3O3

Molecular Weight:

265.3083

MDL Number:

MFCD24384831

IUPAC Name:

tert-butyl 4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7-carboxylate

InChI:

InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-4-9-10(5-7-16)14-8-15-11(9)17/h8H,4-7H2,1-3H3,(H,14,15,17)

InChI Key:

OZMGOCHSZSRRBH-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(CC1)ncnc2O)OC(C)(C)C

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.143g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.313g/mol

Monoisotopic Mass:

265.143g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5