9-Methylthio-6-(4-methyl-1-piperazinyl)1,2-dihydrobenzo[b]pyrrolo(3,2,1-jk][1,4]benzodiazepine

HCID 21297643
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Basic information

Standard SMILES
CSc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccc3c1N2CC3
InChIKey
DKSZPBLDEIDPHS-UHFFFAOYSA-N
Molecular formula
C21H24N4S
Average molar mass
364.5 g/mol

Names & identifiers

Preferred name
9-Methylthio-6-(4-methyl-1-piperazinyl)1,2-dihydrobenzo[b]pyrrolo(3,2,1-jk][1,4]benzodiazepine
IUPAC
9-(4-methylpiperazin-1-yl)-5-methylsulfanyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10,12,14(17)-heptaene

Names & synonyms

SCHEMBL10625646DKSZPBLDEIDPHS-UHFFFAOYSA-N9-Methylthio-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine9-Methylthio-6-(4-methyl-1-piperazinyl)1,2-dihydrobenzo[b]pyrrolo(3,2,1-jk][1,4]benzodiazepine

Database identifiers

PubChem CID
21297643

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
47.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

Related reactions

2 records
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Compound notes

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