Name: Name:3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one
Brand: Angene
SKU: AG01BGX2
Rating: 90 (10 reviews)

3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

CAS No.:

1803571-72-3

Catalog Number:

AG01BGX2

Molecular Formula:

C12H16N2O

Molecular Weight:

204.2682

Catalog Number:

AG01BGX2

Chemical Name:

3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

CAS Number:

1803571-72-3

Molecular Formula:

C12H16N2O

Molecular Weight:

204.2682

MDL Number:

MFCD28139426

IUPAC Name:

3-ethyl-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one

InChI:

InChI=1S/C12H16N2O/c1-3-12(2)8-13-10-7-5-4-6-9(10)11(15)14-12/h4-7,13H,3,8H2,1-2H3,(H,14,15)

InChI Key:

OYIWZNSNGTYLPD-UHFFFAOYSA-N

SMILES:

CCC1(C)CNc2c(C(=O)N1)cccc2

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.273g/mol

Monoisotopic Mass:

204.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1