Basic information
- CAS
852901-25-8- Standard SMILES
CCCN(C(=O)CSc1nnc(N)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O- InChIKey
BLHOWUKAOHGSNI-UHFFFAOYSA-N- Molecular formula
- C18H21N7O3S2
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.1147299
Names & identifiers
- Preferred name
- N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
- IUPAC
- N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
Names & synonyms
MLS002248787N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamideCHEMBL1700246DTXSID001329196HMS3088F13AKOS002476721852901-25-8SMR001316246AB00733056-01SR-01000068530SR-01000068530-1N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
Database identifiers
- CAS
852901-25-8- PubChem CID
- 4845652
- DTXSID
DTXSID001329196- ChEMBL
CHEMBL1700246
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
Experimental & physicochemical properties
Solubility62.8 [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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