N-{1-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Basic information
- CAS
694499-27-9- Standard SMILES
CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C(C)NC(=O)c1ccccc1C- InChIKey
VEWBXKXNWPJQEG-UHFFFAOYSA-N- Molecular formula
- C23H27N5O3S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.18346091
Names & identifiers
- Preferred name
- N-{1-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
- IUPAC
- N-[1-[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide
Names & synonyms
694499-27-9N-[1-[4-Ethyl-5-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamideN-{1-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamideN-{1-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamideDTXSID201109154STK140103AKOS005405071N-[1-[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide
Database identifiers
- CAS
694499-27-9- PubChem CID
- 2947682
- DTXSID
DTXSID201109154
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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