5-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8007-3089 |
| Compound Name: | 5-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C15 H11 N5 O4 S2 |
| Smiles: | Cn1ccnc1Sc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5029 |
| logD: | 2.0773 |
| logSw: | -2.9962 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.354 |
| InChI Key: | FYFSHFLVINWXKW-UHFFFAOYSA-N |