Basic information
- CAS
104140-65-0- Standard SMILES
COc1ccc(NC(=O)NC2=NSC3CCCCC23)cc1- InChIKey
MOJHXGZSBIMRTP-UHFFFAOYSA-N- Molecular formula
- C15H19N3O2S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.11979803
Names & identifiers
- Preferred name
- Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-
- IUPAC
- 1-(3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-yl)-3-(4-methoxyphenyl)urea
Names & synonyms
104140-65-0Urea, N-(4-methoxyphenyl)-N'-(3a,4,5,6,7,7a-hexahydro-1,2-benzisothiazol-3-yl)-DTXSID90908824N-(Hexahydro-1,2-benzothiazol-3(2H)-ylidene)-N'-(4-methoxyphenyl)urea
Database identifiers
- CAS
104140-65-0- PubChem CID
- 190752
- DTXSID
DTXSID90908824
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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