1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8011-1666 |
| Compound Name: | 1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCN1C(C(=Cc2cccn2c2ccc(cc2)[N+]([O-])=O)C(N(CC)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8993 |
| logD: | 2.8993 |
| logSw: | -3.3671 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.647 |
| InChI Key: | YFLNINULKXAIPG-UHFFFAOYSA-N |