N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
Basic information
- CAS
6770-45-2- Standard SMILES
CCCn1cnc2sc(C(=O)NCC3COc4ccccc4O3)c(C)c2c1=O- InChIKey
OODQFUJEXLVIGJ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O4S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.12527733
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
6770-45-2Oprea1_697864N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamideDTXSID80410188OODQFUJEXLVIGJ-UHFFFAOYSA-NZINC02921663N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Database identifiers
- CAS
6770-45-2- PubChem CID
- 5210397
- DTXSID
DTXSID80410188
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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