2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid
Basic information
- CAS
50507-94-3- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccccc2)cc1.CCS(=O)(=O)O- InChIKey
DTOZBVJMCXRZBN-UHFFFAOYSA-N- Molecular formula
- C21H28N6O5S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.18418919
Names & identifiers
- Preferred name
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid
Names & synonyms
50507-94-3NSC138487DTXSID50964724NSC-138487DS-0128302-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenyl-acetamide[4-(4,6-Diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-N-phenylethanimidic acid--ethanesulfonic acid (1/1)2-[4-(4,6-Diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-N-phenylethanimidic acid--ethanesulfonic acid (1/1)
Database identifiers
- CAS
50507-94-3- PubChem CID
- 283605
- DTXSID
DTXSID50964724
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 694
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…