(3RS)-1-(benzothiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one

HCID 19081221

Basic information

Standard SMILES
O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1nc2ccccc2s1
InChIKey
OLBCZRAEOJEKGR-UHFFFAOYSA-N
Molecular formula
C31H19FN4O3S
Average molar mass
546.6 g/mol

Names & identifiers

Preferred name
(3RS)-1-(benzothiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one
IUPAC
2-[1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Names & synonyms

SCHEMBL8535029OLBCZRAEOJEKGR-UHFFFAOYSA-N(3RS)-1-(benzothiazol-2 -yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one(3RS)-1-(benzothiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
19081221

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
40

Related reactions

4 records

Compound notes

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