Basic information
- Standard SMILES
COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnc(CN(C)C)n3C)C(=O)O2)cc1Cl- InChIKey
DFDWJJIAVLTWEL-UHFFFAOYSA-N- Molecular formula
- C25H33ClN4O4S
- Average molar mass
- 521.1 g/mol
Names & identifiers
- Preferred name
- 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-({5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)-4-hydroxy-5,6-dihydro-2H-pyran-2-one
- IUPAC
- 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-cyclopentyl-5-[[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-4-hydroxy-3H-pyran-6-one
Names & synonyms
SCHEMBL3987969DFDWJJIAVLTWEL-UHFFFAOYSA-N6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-({5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Database identifiers
- PubChem CID
- 58762297
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 781
Related reactions
4 records
Compound notes
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