Basic information
- Standard SMILES
COC(=O)CCSc1cnc(Nc2nc(C3COC4(CCCCC4)O3)ns2)c(Oc2cccnc2C)c1- InChIKey
CHUIITWNVRRBCY-UHFFFAOYSA-N- Molecular formula
- C25H29N5O5S2
- Average molar mass
- 543.7 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[[6-[[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]amino]-5-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]sulfanyl]propanoate
- IUPAC
- methyl 3-[[6-[[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]amino]-5-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]sulfanyl]propanoate
Names & synonyms
SCHEMBL2662364
Database identifiers
- PubChem CID
- 67487939
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
Loading…