Basic information
- Standard SMILES
CN(CCCC(=O)O)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl- InChIKey
DOPGEKCITXCJLJ-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N3O4S
- Average molar mass
- 390.2 g/mol
Names & identifiers
- Preferred name
- 4-[[4-(2,6-Dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxycarbonyl-methyl-amino]butanoic acid
- IUPAC
- 4-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxycarbonyl-methylamino]butanoic acid
Names & synonyms
N-(3-carboxypropyl)-N-methyl [3-(2,6-dichlorophenyl)-1,2,5-thiadiazol-4-yl] carbamateSCHEMBL8399155DOPGEKCITXCJLJ-UHFFFAOYSA-N4-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxycarbonyl-methyl-amino]butanoic acid4-{[4-(2,6-Dichloro-phenyl)-[1,2,5]thiadiazol-3-yloxycarbonyl]-methyl-amino}-butyric acid
Database identifiers
- PubChem CID
- 477331
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
Loading…