ethyl 2-[(2,2,2-trichloro-1-propanamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2,2,2-trichloro-1-propanamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(2,2,2-trichloro-1-propanamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1309-2295 |
| Compound Name: | ethyl 2-[(2,2,2-trichloro-1-propanamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.78 |
| Molecular Formula: | C16 H21 Cl3 N2 O3 S |
| Smiles: | CCC(NC(C([Cl])([Cl])[Cl])Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2561 |
| logD: | 4.0384 |
| logSw: | -4.6927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.977 |
| InChI Key: | POEONBFXNYYIEJ-HNNXBMFYSA-N |