methyl 2-({5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-({5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1891 |
| Compound Name: | methyl 2-({5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H19 N3 O7 S |
| Smiles: | Cc1c(COc2ccc(cc2)[N+]([O-])=O)c(C(Nc2c(C(=O)OC)c3CCCc3s2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.9293 |
| logD: | 0.4127 |
| logSw: | -4.3096 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.425 |
| InChI Key: | UZMLHAFXRDEKGE-UHFFFAOYSA-N |