Basic information
- CAS
921198-71-2- Standard SMILES
Oc1cc(Cl)ccc1Nc1nnc(Cc2ccncc2)c2ccccc12- InChIKey
UYSDNRWNXGXNHV-UHFFFAOYSA-N- Molecular formula
- C20H15ClN4O
- Average molar mass
- 362.8 g/mol
- Monoisotopic mass
- 362.0934388
Names & identifiers
- Preferred name
- Phenol, 5-chloro-2-((4-(4-pyridinylmethyl)-1-phthalazinyl)amino)-
- IUPAC
- 5-chloro-2-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenol
Names & synonyms
Vatalanib metabolite M387ASB3Z56ZW921198-71-2UNII-7ASB3Z56ZWZK-264851Phenol, 5-chloro-2-((4-(4-pyridinylmethyl)-1-phthalazinyl)amino)-DTXSID508414603-Chloro-6-({4-[(pyridin-4-yl)methyl]-2,3-dihydrophthalazin-1-yl}imino)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
921198-71-2- PubChem CID
- 136259166
- DTXSID
DTXSID50841460- UNII
- 7ASB3Z56ZW
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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