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Basic information
- CAS
26309-94-4- Standard SMILES
CCCCOCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
ZIABZLIOSXFICH-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O2
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1448057
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-butoxyethyl)-7-chloro-5-phenyl-
- IUPAC
- 1-(2-butoxyethyl)-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
BRN 08433392H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1-(2-BUTOXYETHYL)-7-CHLORO-5-PHENYL-1-(2-Butoxyethyl)-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one26309-94-4DTXSID301809251,3-Dihydro-1-(2-butoxyethyl)-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-oneRefChem:267862DTXCID701034161-(2-Butoxyethyl)-7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
26309-94-4- PubChem CID
- 33476
- DTXSID
DTXSID30180925- Nikkaji
- J41.260K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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