2-({[3-(3-Isopropoxyphenyl)-5-sulfanyl-1,2,4-triazolidin-4-YL]amino}methyl)-6-methoxyphenol
Basic information
- CAS
892154-54-0- Standard SMILES
COc1cccc(CNN2C(S)NNC2c2cccc(OC(C)C)c2)c1O- InChIKey
FLAJBMJLQUFRKR-UHFFFAOYSA-N- Molecular formula
- C19H26N4O3S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.17256188
Names & identifiers
- Preferred name
- 2-({[3-(3-Isopropoxyphenyl)-5-sulfanyl-1,2,4-triazolidin-4-YL]amino}methyl)-6-methoxyphenol
- IUPAC
- 2-methoxy-6-[[[3-(3-propan-2-yloxyphenyl)-5-sulfanyl-1,2,4-triazolidin-4-yl]amino]methyl]phenol
Names & synonyms
AKOS0244162462-({[3-(3-ISOPROPOXYPHENYL)-5-SULFANYL-1,2,4-TRIAZOLIDIN-4-YL]AMINO}METHYL)-6-METHOXYPHENOL
Database identifiers
- CAS
892154-54-0- PubChem CID
- 3472092
- EC Number
- 142-347-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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