Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-
Basic information
- CAS
116758-66-8- Standard SMILES
O=C(Nc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1- InChIKey
AQGWFVILXOJNAN-UHFFFAOYSA-N- Molecular formula
- C16H12N4O3S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.06301143
Names & identifiers
- Preferred name
- Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-
- IUPAC
- 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Names & synonyms
116758-66-8Urea, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenyl-N-(5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-N'-phenylureaDTXSID90151499N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N'-phenylureaRefChem:388059DTXCID60739901-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylureaCambridge id 5790392Oprea1_727169STK828227AKOS000599604
Show more names
AB00097023-011-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-phenylureaN-[5-(2H-1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
Database identifiers
- CAS
116758-66-8- PubChem CID
- 870137
- DTXSID
DTXSID90151499
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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