2-Ethyl-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-propylhexanamide
Basic information
- CAS
5926-70-5- Standard SMILES
CCCCC(CC)C(=O)N(CCC)CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1- InChIKey
GCCHWFQCIHTEQJ-UHFFFAOYSA-N- Molecular formula
- C23H34N4O3S
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.23516213
Names & identifiers
- Preferred name
- 2-Ethyl-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-propylhexanamide
- IUPAC
- 2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylhexanamide
Names & synonyms
5926-70-52-Ethyl-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-propylhexanamide2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylhexanamideDTXSID60411613AKOS021774331
Database identifiers
- CAS
5926-70-5- PubChem CID
- 5228422
- DTXSID
DTXSID60411613
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- 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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