6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-
Basic information
- CAS
75787-51-8- Standard SMILES
CCN(CC)n1c(=O)[nH]c2cc(Cl)c(S(N)(=O)=O)cc2c1=O- InChIKey
FYCRRVLNEJXJNJ-UHFFFAOYSA-N- Molecular formula
- C12H15ClN4O4S
- Average molar mass
- 346.79 g/mol
- Monoisotopic mass
- 346.0502538
Names & identifiers
- Preferred name
- 6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-
- IUPAC
- 7-chloro-3-(diethylamino)-2,4-dioxo-1H-quinazoline-6-sulfonamide
- English name
- 1,2,3,4-Tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-6-quinazolinesu lfonamide
- Molecular formula
- C12H15ClN4O4S
- Molecular weight
- 346.79
Names & synonyms
BRN 513384275787-51-86-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-DTXSID502266921,2,3,4-Tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-6-quinazolinesulfonamideRefChem:309386DTXCID801491837-Chloro-3-(diethylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide1,2,3,4-Tetrahydro-7-chloro-3-(diethylamino)-2,4-dioxo-6-quinazolinesu lfonamide6-Quinazolinesulfonamide, 7-chloro-3-(diethylamino)-1,2,3,4-tetrahydro-2,4-dioxo-
Database identifiers
- CAS
75787-51-8- PubChem CID
- 3058910
- DTXSID
DTXSID50226692
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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