Basic information
- CAS
5395-49-3- Standard SMILES
COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1N1CCOCC1- InChIKey
SZDCOLCPMTXEQA-UHFFFAOYSA-N- Molecular formula
- C20H21ClN6O3S
- Average molar mass
- 460.9 g/mol
- Monoisotopic mass
- 460.1084374
Names & identifiers
- Preferred name
- N-(5-chloro-2-morpholin-4-yl-phenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
- IUPAC
- N-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Names & synonyms
5395-49-3N-(5-chloro-2-morpholin-4-yl-phenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamideN-(5-chloro-2-morpholin-4-ylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamideDTXSID70411583N-[5-Chloro-2-(morpholin-4-yl)phenyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Database identifiers
- CAS
5395-49-3- PubChem CID
- 5228071
- DTXSID
DTXSID70411583
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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