1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one

HCID 333607

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 69181-02-8
Standard SMILES: CCN1C(=O)CCN(S(=O)(=O)c2ccc(-n3nc(C)cc3C)cc2)C1=S
InChIKey: OBEJJZVPVSGSAY-UHFFFAOYSA-N
Molecular formula: C17H20N4O3S2
Average molar mass: 392.5 g/mol
Monoisotopic mass: 392.09768286

Names & identifiers

Preferred name: 1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
IUPAC: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one

Names & synonyms

69181-02-8NSC3360271-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-oneCHEMBL3228965DTXSID80318791NSC-336027DS-0144371-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl]-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one4(1H)-PYRIMIDINONE,1-[[4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYL]SULFONYL]-3-ETHYLTETRAHYDRO-2-THIOXO-

Database identifiers

CAS: 69181-02-8
PubChem CID: 333607
DTXSID: DTXSID80318791
ChEMBL: CHEMBL3228965

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 116 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 655

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…