5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0029 |
| Compound Name: | 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2,3-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | Cc1cccc(c1C)N1C(C(=C\c2cccn2c2ccc(cc2)[Br])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4313 |
| logD: | 5.1935 |
| logSw: | -5.4505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.457 |
| InChI Key: | MWWOKYIQQASZQE-UHFFFAOYSA-N |