9-Chloro-5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Basic information
- CAS
332062-79-0- Standard SMILES
Clc1cccc(C2Oc3ccc(Cl)cc3C3CC(c4cccs4)=NN32)c1- InChIKey
GIEKHCISIVMGER-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N2OS
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.0203896
Names & identifiers
- Preferred name
- 9-Chloro-5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 9-chloro-5-(3-chlorophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Names & synonyms
NSC807713STL021268AKOS000618710AKOS016245665NSC-807713ST50085935SR-01000584903SR-01000584903-18-CL-4(3-CL-PH)2-THIOPHEN-2-YL-1,9B-2H-5-OXA-3,3A-DIAZA-CYCLOPENTA(A)NAPHTHALENE2-[2-chloro-6-(3-chlorophenyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-9 -yl]thiophene9-chloro-5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine9-chloro-5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Database identifiers
- CAS
332062-79-0- PubChem CID
- 3121978
- EC Number
- 160-203-6
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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