ethyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C226-3512 |
| Compound Name: | ethyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c2CCCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4505 |
| logD: | 1.2413 |
| logSw: | -4.2543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.529 |
| InChI Key: | HUBONQUHTZNONX-UHFFFAOYSA-N |