3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
Basic information
- CAS
4034-69-9- Standard SMILES
COc1ccc(Cl)cc1NC(=S)N(CCC#N)Cc1cccnc1- InChIKey
IXLGJMFSIJKNMI-UHFFFAOYSA-N- Molecular formula
- C17H17ClN4OS
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.08116
Names & identifiers
- Preferred name
- 3-(5-Chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
- IUPAC
- 3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea
Names & synonyms
4034-69-93-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thioureaDTXSID30410956AB00013107-01N'-(5-Chloro-2-methoxyphenyl)-N-(2-cyanoethyl)-N-[(pyridin-3-yl)methyl]thiourea
Database identifiers
- CAS
4034-69-9- PubChem CID
- 5220126
- DTXSID
DTXSID30410956
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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