1-(3-bromophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-bromophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0400 |
| Compound Name: | 1-(3-bromophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 486.77 |
| Molecular Formula: | C21 H13 Br Cl N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1cccc(c1)[Br])=S)=O)/c1cccn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0144 |
| logD: | 3.9874 |
| logSw: | -5.2855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | HNBWFUNMYNCGCR-UHFFFAOYSA-N |