ethyl [(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
ethyl [(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 7011-1972 |
| Compound Name: | ethyl [(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 313.29 |
| Molecular Formula: | C10 H11 N5 O5 S |
| Smiles: | CCOC(CSc1nc2NC(C)=C(C(n2n1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8481 |
| logD: | -4.4554 |
| logSw: | -1.9456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.704 |
| InChI Key: | YHZMCEDJWOCMDA-UHFFFAOYSA-N |