ethyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C226-3404 |
| Compound Name: | ethyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1c2CCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.497 |
| logD: | 0.2465 |
| logSw: | -3.8098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.277 |
| InChI Key: | NSTHINDRGCKYIL-UHFFFAOYSA-N |