5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3636-0231 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C15 H10 Cl N3 O2 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cccn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3823 |
| logD: | 3.0122 |
| logSw: | -3.8367 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.155 |
| InChI Key: | BCJLTBPRFKPPTO-UHFFFAOYSA-N |