N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2007 |
| Compound Name: | N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C21 H21 F N4 O3 S |
| Smiles: | C1CCc2c(C(N)=O)c(NC(c3ccn(COc4ccccc4F)n3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7739 |
| logD: | 1.9496 |
| logSw: | -3.3598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.884 |
| InChI Key: | HTEJTTGRRLTPDI-UHFFFAOYSA-N |