Basic information
- CAS
391652-47-4- Standard SMILES
O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1- InChIKey
CLYVJOBFXBISGI-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2N3O6S
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.0215118
Names & identifiers
- Preferred name
- [2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
- IUPAC
- [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Names & synonyms
391652-47-4[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylateMLS002249488CHEMBL1902103DTXSID701332792HMS3088L13AKOS033627946SMR001316919EN300-26613114Z18518616{[3-(morpholine-4-sulfonyl)phenyl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate2-[3-(Morpholine-4-sulfonyl)anilino]-2-oxoethyl 5,6-dichloropyridine-3-carboxylate
Database identifiers
- CAS
391652-47-4- PubChem CID
- 3914739
- DTXSID
DTXSID701332792- ChEMBL
CHEMBL1902103
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 713
Experimental & physicochemical properties
Solubility38.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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