5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0697 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C22 H16 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)[Cl])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6441 |
| logD: | 4.3202 |
| logSw: | -4.8669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | RYUDHCXEPBULBB-UHFFFAOYSA-N |