Mls003115924
Basic information
- CAS
59166-15-3- Standard SMILES
Cc1nn(C)c2c1C(c1ccc(Cl)cc1)SCC(=O)N2C- InChIKey
HTCOMBLJKZMIOS-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3OS
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.070261
Names & identifiers
- Preferred name
- Mls003115924
- IUPAC
- 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
Names & synonyms
MLS00311592459166-15-3DTXSID40317265RefChem:357326DTXCID80268388NSC3136724-(4-Chlorophenyl)-1,3,8-trimethyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-oneChemDiv1_0240224-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-oneOprea1_111921CHEMBL2362366HMS655D20
Show more names
NSC-313672SMR001831486SR-01000473600SR-01000473600-1
Database identifiers
- CAS
59166-15-3- PubChem CID
- 329653
- DTXSID
DTXSID40317265- ChEMBL
CHEMBL2362366
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…