ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8009-5250 |
| Compound Name: | ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate |
| Molecular Weight: | 437.44 |
| Molecular Formula: | C17 H22 F3 N3 O5 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(=O)OCC)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.356 |
| logD: | 1.7069 |
| logSw: | -2.6096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.407 |
| InChI Key: | HNZGOVROJXXBJZ-INIZCTEOSA-N |