Basic information
- Standard SMILES
O=c1cc(CO)n2c(n1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2- InChIKey
STVBLXQXPNPQKO-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3O2
- Average molar mass
- 351.8 g/mol
Names & identifiers
- Preferred name
- 1-hydroxymethyl-9-chloro-7-phenylpyrimido[1,2-a][1,4]benzodiazepin-3(5H)-one
- IUPAC
- 9-chloro-1-(hydroxymethyl)-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Names & synonyms
SCHEMBL10469913STVBLXQXPNPQKO-UHFFFAOYSA-N1-hydroxymethyl-9-chloro-7-phenylpyrimido[1,2-a][1,4]benzodiazepin-3(5H)-one
Database identifiers
- PubChem CID
- 15079790
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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