Basic information
- CAS
84634-57-1- Standard SMILES
COc1ccccc1C1=Nc2ccccc2N=C(c2ccccc2O)C1- InChIKey
LECPLPRIFMXKDQ-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13682782
Names & identifiers
- Preferred name
- Phenol, 2-[4-(2-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]-
- IUPAC
- 2-[4-(2-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Names & synonyms
NSC601054NIOSH/SL7842200SL78422000o-(4-(o-Methoxyphenyl)-3H-1,5-benzodiazepin-2-yl)phenolPhenol, o-(4-(o-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl)-2-(4-(2-Methoxyphenyl)-3H-1,5-benzodiazepin-2-yl)phenol2-[4-(2-Methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]phenol84634-57-1Phenol, 2-[4-(2-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]-DTXSID10425487LECPLPRIFMXKDQ-UHFFFAOYSA-NNSC-601054
Show more names
Benzodiazepine, 2-[2-hydroxyphenyl]-4-[2-methoxyphenyl]-2-[4-(2-Methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]phenol #6-[4-(2-Methoxyphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
84634-57-1- PubChem CID
- 353293
- DTXSID
DTXSID10425487
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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