5-(2-chlorophenyl)-2-[bis(morpholino)phosphinyloxy]-7-nitro-3H-1,4-benzodiazepine

HCID 20142991
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=NCC(OP(=O)(N1CCOCC1)N1CCOCC1)=N2
InChIKey
RIGSDAIXRQTHFQ-UHFFFAOYSA-N
Molecular formula
C23H25ClN5O6P
Average molar mass
533.9 g/mol
Monoisotopic mass
533.1230982

Names & identifiers

Preferred name
5-(2-chlorophenyl)-2-[bis(morpholino)phosphinyloxy]-7-nitro-3H-1,4-benzodiazepine
IUPAC
4-[[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]oxy-morpholin-4-ylphosphoryl]morpholine

Names & synonyms

SCHEMBL7309396RIGSDAIXRQTHFQ-UHFFFAOYSA-N5-(2-chlorophenyl)-2-[bis(morpholino)phosphinyloxy]-7-nitro-3H-1,4-benzodiazepine

Database identifiers

PubChem CID
20142991

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
122 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
36

Related reactions

1 records
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Compound notes

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