5-(3-fluoro-4-methylphenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(3-fluoro-4-methylphenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
5-(3-fluoro-4-methylphenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D354-0115 |
| Compound Name: | 5-(3-fluoro-4-methylphenyl)-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 483.56 |
| Molecular Formula: | C25 H26 F N3 O4 S |
| Smiles: | [H]N(C(c1cc(c2ccc(C)c(c2)F)on1)=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5168 |
| logD: | 3.6825 |
| logSw: | -4.5012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.647 |
| InChI Key: | XYBGVQKXTSWJDQ-MRXNPFEDSA-N |