N-(2-Chloro-3-pyridinyl)-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetamide
Basic information
- CAS
571172-14-0- Standard SMILES
O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)Nc1cccnc1Cl- InChIKey
CDBCAMQTUOTRAY-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4O2S2
- Average molar mass
- 497 g/mol
- Monoisotopic mass
- 496.079446
Names & identifiers
- Preferred name
- N-(2-Chloro-3-pyridinyl)-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetamide
- IUPAC
- 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
Names & synonyms
DTXSID701104311AKOS033633517571172-14-0N-(2-Chloro-3-pyridinyl)-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetamideZ18620780
Database identifiers
- CAS
571172-14-0- PubChem CID
- 4797451
- DTXSID
DTXSID701104311
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 763
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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