10,11-Dihydro-10-(4-nitrobenzoyl)dibenz[b,f][1,4]thiazepine

HCID 54570072
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Basic information

Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2Sc2ccccc21
InChIKey
ZWPVSDSFAHQHAT-UHFFFAOYSA-N
Molecular formula
C20H14N2O3S
Average molar mass
362.4 g/mol

Names & identifiers

Preferred name
10,11-Dihydro-10-(4-nitrobenzoyl)dibenz[b,f][1,4]thiazepine
IUPAC
6H-benzo[b][1,4]benzothiazepin-5-yl-(4-nitrophenyl)methanone

Names & synonyms

SCHEMBL8559583ZWPVSDSFAHQHAT-UHFFFAOYSA-N10,11-Dihydro-10-(4-nitrobenzoyl)dibenz[b,f][1,4]thiazepine10,11-Dihydro-10-(4-nitrobenzoyl)dibenz[b,f] [1,4]thiazepine10,11-Dihydro-10-(4-nitrobenzoyl)dibenz[b,f][1,4]-thiazepine

Database identifiers

PubChem CID
54570072

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
91.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
26

Related reactions

21 records
New reaction record

Compound notes

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