Name: Name:7-bromo-2-[(3-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione
Brand: Angene
SKU: AG01B5IK
Rating: 90 (10 reviews)

7-bromo-2-[(3-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione

CAS No.:

1955498-83-5

Catalog Number:

AG01B5IK

Molecular Formula:

C16H17BrN2O3S

Molecular Weight:

397.2868

Catalog Number:

AG01B5IK

Chemical Name:

7-bromo-2-[(3-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione

CAS Number:

1955498-83-5

Molecular Formula:

C16H17BrN2O3S

Molecular Weight:

397.2868

MDL Number:

MFCD30181101

IUPAC Name:

7-bromo-2-[(3-methoxyphenyl)methyl]-4-methyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide

InChI:

InChI=1S/C16H17BrN2O3S/c1-18-11-19(10-12-4-3-5-14(8-12)22-2)23(20,21)16-9-13(17)6-7-15(16)18/h3-9H,10-11H2,1-2H3

InChI Key:

AXKGESHGFBFTJC-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)CN1CN(C)c2c(S1(=O)=O)cc(cc2)Br

Complexity:

510

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.287g/mol

Monoisotopic Mass:

396.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2