2,2,3,3-tetrafluoropropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
Chemical Structure Depiction of
2,2,3,3-tetrafluoropropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
2,2,3,3-tetrafluoropropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate
Compound characteristics
| Compound ID: | 5540-0057 |
| Compound Name: | 2,2,3,3-tetrafluoropropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C19 H22 F4 N2 O3 S |
| Smiles: | CC(C)(CC(Nc1c(C#N)c2CCCCc2s1)=O)CC(=O)OCC(C(F)F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.877 |
| logD: | 2.1852 |
| logSw: | -4.2212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.693 |
| InChI Key: | BLRNKRSSXMWRLE-UHFFFAOYSA-N |