5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0702 |
| Compound Name: | 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C21 H14 Br N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=S)=O)/c1cccn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3384 |
| logD: | 4.0144 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | BOGIPQNHQNZWSZ-UHFFFAOYSA-N |