Basic information
- CAS
308831-77-8- Standard SMILES
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F- InChIKey
NOTUERNGVKFNTG-UHFFFAOYSA-N- Molecular formula
- C35H29F2N5O4S
- Average molar mass
- 653.7 g/mol
- Monoisotopic mass
- 653.19083192
Names & identifiers
- Preferred name
- 1-[4-[5-[[Benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxyurea
- IUPAC
- 1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxyurea
Names & synonyms
CHEMBL277214SCHEMBL4253402DTXSID201099559BDBM50122671308831-77-81-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-3-hydroxy-urea; HCL.H2ON-[4-[1-[(2,6-Difluorophenyl)methyl]-1,2,3,4-tetrahydro-5-[[methyl(phenylmethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-Na(2)-hydroxyurea
Database identifiers
- CAS
308831-77-8- PubChem CID
- 9917618
- DTXSID
DTXSID201099559- ChEMBL
CHEMBL277214
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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