4-Chloro-2-{9-chloro-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}phenol
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Basic information
- CAS
332062-29-0- Standard SMILES
COc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC3c2cc(Cl)ccc2O)cc1- InChIKey
HVUGFBRDTPAFJP-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N2O3
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.0694478
Names & identifiers
- Preferred name
- 4-Chloro-2-{9-chloro-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}phenol
- IUPAC
- 4-chloro-2-[9-chloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
- English name
- 4-chloro-2-{9-chloro-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}phenol
- Molecular formula
- C23H18Cl2N2O3
- Molecular weight
- 441.30662
Names & synonyms
4-chloro-2-{9-chloro-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}phenolOprea1_554657Oprea1_674779STL191760AKOS000618744AKOS0252683224-chloro-2-[9-chloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenolST51206913AG-690/124093844-chloro-2-[12-chloro-4-(4-methoxyphenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraen-7-yl]phenol4-chloro-2-[9-chloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Database identifiers
- CAS
332062-29-0- PubChem CID
- 3121897
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
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Compound notes
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