1-(4-bromo-2-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromo-2-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromo-2-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-1670 |
| Compound Name: | 1-(4-bromo-2-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 460.35 |
| Molecular Formula: | C20 H18 Br N3 O3 S |
| Smiles: | Cc1cc(ccc1N1C(C(=C\c2ccc(N3CCCC3)o2)\C(NC1=S)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3409 |
| logD: | 3.5667 |
| logSw: | -4.2845 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.195 |
| InChI Key: | LPWDIFGBWAZAOA-UHFFFAOYSA-N |