ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate
ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate
Compound characteristics
| Compound ID: | 8012-4372 |
| Compound Name: | ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C14 H17 N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[N+]([O-])=O)NC(NC1(C)O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9628 |
| logD: | 1.9628 |
| logSw: | -2.6461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.098 |
| InChI Key: | MZJXZKVHHNSFHZ-UHFFFAOYSA-N |