5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3636-0905 |
| Compound Name: | 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C23 H18 Br N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)[Br])\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8289 |
| logD: | 4.505 |
| logSw: | -4.4059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.881 |
| InChI Key: | AGLZOVHTPXMAIP-UHFFFAOYSA-N |