diethyl 3-methyl-5-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C226-3402 |
| Compound Name: | diethyl 3-methyl-5-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C19 H22 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c2CCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4226 |
| logD: | 0.3919 |
| logSw: | -3.7119 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.031 |
| InChI Key: | BOOZTLSWZLYURG-UHFFFAOYSA-N |