AC1L7DNE
5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid
Also Known As: 5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid|5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diaz|1H-PYRAZOLE-3-CARBOXYLICACID,5-METHYL-1-[4-[[TETRAHYDRO-4-OXO-3-(2-PROPEN-1-YL)-2-THIOXO-1(2H)-PYRIMIDINYL]SULFONYL]PHENYL]-|5-Methyl-1-{4-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-1-sulfonyl]phenyl}-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C18H18N4O5S2 |
|---|---|
| Molecular Weight | 434.07187 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.07187 |
| Monoisotopic Mass | 434.07187 |
| Heavy Atoms | 29 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 69181-08-4 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)CC=C)C(=O)O |
| InChIKey | DQOUMAWDMQVSJJ-UHFFFAOYSA-N |
Product Overview
AC1L7DNE (CAS 69181-08-4), with molecular formula C18H18N4O5S2 and molecular weight 434.07187 g/mol. IUPAC: 5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid.
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