1-(4-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-1580 |
| Compound Name: | 1-(4-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccc(N3CCCC3)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2854 |
| logD: | 2.8992 |
| logSw: | -3.476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.496 |
| InChI Key: | XOPYHFMYLWWJNA-UHFFFAOYSA-N |