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 |