N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methoxybenzamide
N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | 3448-6646 |
| Compound Name: | N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methoxybenzamide |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C21 H19 F6 N3 O2 S |
| Smiles: | COc1ccc(cc1)C(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7498 |
| logD: | 1.0436 |
| logSw: | -5.3866 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.173 |
| InChI Key: | DBIHWZNKNZRDEQ-UHFFFAOYSA-N |