5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0920 |
| Compound Name: | 5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(N3CCCCCC3)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6854 |
| logD: | 4.6634 |
| logSw: | -4.3351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.461 |
| InChI Key: | XEEDAYRAAFLNRF-UHFFFAOYSA-N |