methyl 2-{[N-(3,4-difluorophenyl)-N-(methanesulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[N-(3,4-difluorophenyl)-N-(methanesulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[N-(3,4-difluorophenyl)-N-(methanesulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-5409 |
| Compound Name: | methyl 2-{[N-(3,4-difluorophenyl)-N-(methanesulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C19 H20 F2 N2 O5 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(CN(c1ccc(c(c1)F)F)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4887 |
| logD: | 1.3722 |
| logSw: | -4.1477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.594 |
| InChI Key: | GRBMIUVOWPUAOY-UHFFFAOYSA-N |