N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0859 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C13 H10 N4 O4 S |
| Smiles: | Cc1c(c(C(Nc2c(C#N)c3CCCc3s2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3363 |
| logD: | -1.795 |
| logSw: | -2.5647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.478 |
| InChI Key: | AOGJCTMSXHPNQN-UHFFFAOYSA-N |