Name: Name:(S)-3-amino-1-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Brand: Angene
SKU: AG00GA3V
Rating: 90 (10 reviews)

(S)-3-amino-1-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one

CAS No.:

847926-38-9

Catalog Number:

AG00GA3V

Molecular Formula:

C10H13N3O

Molecular Weight:

191.2297

Catalog Number:

AG00GA3V

Chemical Name:

(S)-3-amino-1-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one

CAS Number:

847926-38-9

Molecular Formula:

C10H13N3O

Molecular Weight:

191.2297

MDL Number:

MFCD29984544

IUPAC Name:

(3S)-3-amino-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

InChI:

InChI=1S/C10H13N3O/c1-13-9-5-3-2-4-8(9)12-6-7(11)10(13)14/h2-5,7,12H,6,11H2,1H3/t7-/m0/s1

InChI Key:

XUXYYNCANORAOF-ZETCQYMHSA-N

SMILES:

O=C1[C@@H](N)CNc2c(N1C)cccc2

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.234g/mol

Monoisotopic Mass:

191.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2