N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-ethoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-ethoxybenzamide
N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-ethoxybenzamide
Compound characteristics
| Compound ID: | 3448-1930 |
| Compound Name: | N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-ethoxybenzamide |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C21 H19 F6 N3 O2 S |
| Smiles: | CCOc1ccccc1C(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5504 |
| logD: | -0.7423 |
| logSw: | -5.3727 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.508 |
| InChI Key: | DZFDRMMUQCNAIA-UHFFFAOYSA-N |