5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0719 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C22 H16 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)[Cl])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2031 |
| logD: | 3.8792 |
| logSw: | -4.6747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.302 |
| InChI Key: | VEDZYRAAGAMWHG-UHFFFAOYSA-N |