ethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0587 |
| Compound Name: | ethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C18 H22 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1c(C)c(C)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0303 |
| logD: | 0.8005 |
| logSw: | -4.0263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.361 |
| InChI Key: | KFACZJUJOGADLZ-UHFFFAOYSA-N |