5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | Y500-5844 |
| Compound Name: | 5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C18 H13 N3 O5 S |
| Smiles: | C=CCN1C(C(=C/c2ccc(c3ccccc3[N+]([O-])=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7891 |
| logD: | 2.7162 |
| logSw: | -3.7826 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.74 |
| InChI Key: | XISSNNSICYEOKN-UHFFFAOYSA-N |