5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4998-0063 |
| Compound Name: | 5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9887 |
| logD: | 2.6647 |
| logSw: | -3.5513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.919 |
| InChI Key: | FPWBZIDABDJVKR-UHFFFAOYSA-N |