ethyl 2-[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C226-3854 |
| Compound Name: | ethyl 2-[(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C23 H30 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c2CC(CCc2on1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6289 |
| logD: | 2.4197 |
| logSw: | -5.3089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.198 |
| InChI Key: | IQFHQUCEMLTHHH-CYBMUJFWSA-N |