Name: Name:2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-
Brand: Angene
SKU: AG0005BL
Rating: 90 (10 reviews)

2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-

CAS No.:

1017241-36-9

Catalog Number:

AG0005BL

Molecular Formula:

C17H20N4OS

Molecular Weight:

328.4319

Catalog Number:

AG0005BL

Chemical Name:

2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-

CAS Number:

1017241-36-9

Molecular Formula:

C17H20N4OS

Molecular Weight:

328.4319

MDL Number:

MFCD18379579

IUPAC Name:

3-[(Z)-2-hydroxyprop-1-enyl]-4-(4-methylpiperazin-1-yl)-1,5-benzodiazepine-2-thione

InChI:

InChI=1S/C17H20N4OS/c1-12(22)11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)23/h3-6,11,22H,7-10H2,1-2H3/b12-11-

InChI Key:

FGFJFJPSKUZRCI-QXMHVHEDSA-N

SMILES:

CN1CCN(CC1)c1nc2ccccc2[nH]c(=S)/c/1=C\C(=O)C

Complexity:

704

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:

83.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4