Basic information
- CAS
40545-73-1- Standard SMILES
Cc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
FRNDWGBVYLJORG-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O2
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1353036
Names & identifiers
- Preferred name
- (5-Chloro-2-{3-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-4-yl}phenyl)(phenyl)methanone
- IUPAC
- [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Names & synonyms
40545-73-1NSC288029CHEMBL3277542DTXSID30314743NSC-288029(5-Chloro-2-{3-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-4-yl}phenyl)(phenyl)methanone
Database identifiers
- CAS
40545-73-1- PubChem CID
- 324092
- DTXSID
DTXSID30314743- ChEMBL
CHEMBL3277542
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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