5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3636-0701 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C21 H14 Cl N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=S)=O)/c1cccn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0992 |
| logD: | 3.7753 |
| logSw: | -4.7215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | CIADUBHGOBZQQW-UHFFFAOYSA-N |