(+/-)-7-(4,5-Dihydro-5-methyl-4-oxo-thiazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

HCID 12137432
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Basic information

Standard SMILES
CC1SC(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)=NC1=O
InChIKey
JUJXQLCACJNOSY-UHFFFAOYSA-N
Molecular formula
C21H18N4O5S
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
(+/-)-7-(4,5-Dihydro-5-methyl-4-oxo-thiazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine
IUPAC
5-methyl-2-[8-methyl-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]-1,3-thiazol-4-one

Names & synonyms

SCHEMBL5423023JUJXQLCACJNOSY-UHFFFAOYSA-N(+/-)-7-(4,5-Dihydro-5-methyl-4-oxo-thiazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

Database identifiers

PubChem CID
12137432

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
135 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
31

Related reactions

1 records
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Linked notes

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