Basic information
- CAS
70344-82-0- Standard SMILES
O=C1CN=C(c2ccc(Cl)cc2)c2oc3ccccc3c2N1- InChIKey
HXCVRHGLGHYWFQ-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2O2
- Average molar mass
- 310.7 g/mol
- Monoisotopic mass
- 310.0509053
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro[3,2-e]-1,4-diazepin-2-one
- IUPAC
- 5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
Names & synonyms
70344-82-05-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro[3,2-e]-1,4-diazepin-2-one5-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro(3,2-e)-1,4-diazepin-2-oneRefChem:2998605-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one5-(4-chlorophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-oneChemDiv1_021395Oprea1_163590MLS000768114CHEMBL1598446HMS647M11HXCVRHGLGHYWFQ-UHFFFAOYSA-N
Show more names
DTXSID801157351HMS2776D07STK079751AKOS001487765CCG-110712SMR000431513EU-0018131ST45396027
Database identifiers
- CAS
70344-82-0- PubChem CID
- 628149
- DTXSID
DTXSID801157351- ChEMBL
CHEMBL1598446
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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