Basic information
- Standard SMILES
Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5cc(Cl)ccc54)C3)n2C)s1- InChIKey
YANOQHGMWHDKKI-UHFFFAOYSA-N- Molecular formula
- C23H28ClN5S2
- Average molar mass
- 474.1 g/mol
- Monoisotopic mass
- 473.147466
Names & identifiers
- Preferred name
- 5-[5-[3-(6-Chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,4-dimethyl-1,3-thiazole
- IUPAC
- 5-[5-[3-(6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,4-dimethyl-1,3-thiazole
Names & synonyms
CHEMBL1258948SCHEMBL2492561YANOQHGMWHDKKI-UHFFFAOYSA-NBDBM504171225-(5-(3-(5-chloro-2,3-dihydrospiro[indene-1,3'-pyrrolidine]-1'-yl)propylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-2,4-dimethylthiazole
Database identifiers
- PubChem CID
- 24758481
- ChEMBL
CHEMBL1258948
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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