ethyl 5-acetyl-4-methyl-2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C582-0969 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C17 H19 N3 O7 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(c1c(c(C(C)C)on1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0565 |
| logD: | -2.6357 |
| logSw: | -3.3913 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.294 |
| InChI Key: | QOQDKALYOWLUTC-UHFFFAOYSA-N |