AC1LQ9GJ
(5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: BIM-0004789.P001|SR-01000231123-1|(5E)-1-(4-chlorophenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione|(E)-1-(4-chlorophenyl)-2-thioxo-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione|(5E)-1-(4-chlorophenyl)-2-sulfanyl-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrimidine-4,6(1H,5H)-dione|(5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione
| Molecular Formula | C18H16ClN3O2S |
|---|---|
| Molecular Weight | 373.0652 g/mol |
| LogP | 3.12664 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.0652 |
| Monoisotopic Mass | 373.0652 |
| Heavy Atoms | 25 |
| Complexity | 928.54297 |
Chemical Identifiers
| CAS Number | 6235-91-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1LQ9GJ (CAS 6235-91-2), with molecular formula C18H16ClN3O2S and molecular weight 373.0652 g/mol. IUPAC: (5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione.