3-(Hydroxymethylene)-4-(4-methylpiperazin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione

Base Information

• Chemical Name: 3-(Hydroxymethylene)-4-(4-methylpiperazin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione
• CAS No.: 1320360-86-8
• Molecular Formula: C15H18N4OS
• Molecular Weight: 302.4
• Mol file: 1320360-86-8.mol

Synonyms:1320360-86-8;3-(Hydroxymethylene)-4-(4-methylpiperazin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione

Chemical Property of 3-(Hydroxymethylene)-4-(4-methylpiperazin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione

Chemical Property:

• PKA: 4.35±0.40(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 302.12013238
• Heavy Atom Count: 21
• Complexity: 457

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C(=S)NC3=CC=CC=C3N2)C=O