Basic information
- CAS
5689-54-3- Standard SMILES
CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccc(OC)c2)cc1- InChIKey
TUKTWDCKDLIVQV-UHFFFAOYSA-N- Molecular formula
- C23H24N4O3S
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.15691181
Names & identifiers
- Preferred name
- 4-[[4-(4-Ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
- IUPAC
- 4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
Names & synonyms
5689-54-34-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazoleDTXSID804114733-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Database identifiers
- CAS
5689-54-3- PubChem CID
- 5226582
- DTXSID
DTXSID80411473
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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