Basic information
- CAS
203915-63-3- Standard SMILES
COc1ccc(S(=O)(=O)N2CC(O)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1- InChIKey
CMBPIMDJJHAVBX-UHFFFAOYSA-N- Molecular formula
- C19H23N3O9S2
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.08757167
Names & identifiers
- Preferred name
- 2-Pyrimidinecarboxamide, hexahydro-N,5-dihydroxy-1,3-bis((4-methoxyphenyl)sulfonyl)-
- IUPAC
- N,5-dihydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazinane-2-carboxamide
Names & synonyms
203915-63-32-Pyrimidinecarboxamide, hexahydro-N,5-dihydroxy-1,3-bis((4-methoxyphenyl)sulfonyl)-CHEMBL118744SCHEMBL7081790DTXSID80174339BDBM50066656N,5-Dihydroxy-1,3-bis(4-methoxybenzene-1-sulfonyl)-1,3-diazinane-2-carboxamide5-Hydroxy-1,3-bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide
Database identifiers
- CAS
203915-63-3- PubChem CID
- 154137
- DTXSID
DTXSID80174339- ChEMBL
CHEMBL118744- Nikkaji
- J997.557H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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