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
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
4 records
Compound notes
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