2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one
Basic information
- CAS
142465-12-1- Standard SMILES
NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3- InChIKey
XKSGUVWFVCCNMI-UHFFFAOYSA-N- Molecular formula
- C16H16N4OS
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.10448232
Names & identifiers
- Preferred name
- 2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one
- IUPAC
- 2-hydrazinyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
142465-12-12-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one2-hydrazinyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneOprea1_849186MLS000779671CHEMBL1387096DTXSID101331784HMS2776N24SBB038964STK993831AKOS0002669742-hydrazinyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Show more names
SMR000419854SR-01000082697SR-01000082697-12-hydrazino-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-o ne2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one2-hydrazinyl-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
142465-12-1- PubChem CID
- 746520
- DTXSID
DTXSID101331784- ChEMBL
CHEMBL1387096- Nikkaji
- J2.575.899D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Solubility34.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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