Name: Name:10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-4-oxido-1-piperazinyl)-
Brand: Angene
SKU: AG001ZXY
Rating: 90 (10 reviews)

10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-4-oxido-1-piperazinyl)-

CAS No.:

174794-02-6

Catalog Number:

AG001ZXY

Molecular Formula:

C17H20N4OS

Molecular Weight:

328.4319

Catalog Number:

AG001ZXY

Chemical Name:

10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-4-oxido-1-piperazinyl)-

CAS Number:

174794-02-6

Molecular Formula:

C17H20N4OS

Molecular Weight:

328.4319

MDL Number:

MFCD08703077

IUPAC Name:

2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

InChI:

InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3

InChI Key:

LJVNYCDXBXGQIK-UHFFFAOYSA-N

SMILES:

Cc1sc2c(c1)C(=Nc1c(N2)cccc1)N1CC[N+](CC1)([O-])C

UNII:

O055W43VHD

Complexity:

477

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.434g/mol

Monoisotopic Mass:

328.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3