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}furan-2-carboxamide
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}furan-2-carboxamide
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}furan-2-carboxamide
Compound characteristics
| Compound ID: | 3448-6634 |
| 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}furan-2-carboxamide |
| Molecular Weight: | 451.39 |
| Molecular Formula: | C18 H15 F6 N3 O2 S |
| Smiles: | C1CCc2c(C#N)c(NC(C(F)(F)F)(C(F)(F)F)NC(c3ccco3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0399 |
| logD: | 0.479 |
| logSw: | -4.7651 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.207 |
| InChI Key: | PMPQTTZUQJXVOP-UHFFFAOYSA-N |