5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 4920-0788 |
Compound Name: | 5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 335.42 |
Molecular Formula: | C16 H21 N3 O3 S |
Smiles: | Cc1cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c(C)n1CCOC |
Stereo: | ACHIRAL |
logP: | 0.4882 |
logD: | 0.4882 |
logSw: | -1.4107 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 42.332 |
InChI Key: | HXGDBXWPGFIGNE-UHFFFAOYSA-N |