N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[2-(4-fluorophenoxy)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[2-(4-fluorophenoxy)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[2-(4-fluorophenoxy)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-4510 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[2-(4-fluorophenoxy)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 494.6 |
| Molecular Formula: | C23 H27 F N2 O5 S2 |
| Smiles: | CC1CCc2c(C(NC3CCS(C3)(=O)=O)=O)c(NC(C(C)Oc3ccc(cc3)F)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0025 |
| logD: | 2.0525 |
| logSw: | -3.6487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.409 |
| InChI Key: | UKSMXHCDOPSMEB-UHFFFAOYSA-N |