diethyl 3-methyl-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C226-3516 |
| Compound Name: | diethyl 3-methyl-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c2CCCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9185 |
| logD: | 0.8878 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.362 |
| InChI Key: | HMTBZUDBBLPDIP-UHFFFAOYSA-N |