ethyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C582-0964 |
| Compound Name: | ethyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 407.44 |
| Molecular Formula: | C18 H21 N3 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c(c(C(C)C)on1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1915 |
| logD: | -0.9493 |
| logSw: | -4.3137 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.388 |
| InChI Key: | ZPXVVEVHSGROKQ-UHFFFAOYSA-N |