5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4920-0090 |
| Compound Name: | 5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CN(C)c1ccc(cc1)n1cccc1\C=C1/C(NC(N(C)C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3221 |
| logD: | 2.1173 |
| logSw: | -2.9189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.211 |
| InChI Key: | KTWNKRKKHKOXHA-UHFFFAOYSA-N |