5-(3,4-dimethylphenyl)-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
5-(3,4-dimethylphenyl)-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1584 |
| Compound Name: | 5-(3,4-dimethylphenyl)-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | [H]N(C(c1cc(c2ccc(C)c(C)c2)on1)=O)c1c(C(NCc2cccnc2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0549 |
| logD: | 4.4294 |
| logSw: | -4.4645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.511 |
| InChI Key: | YBVDIPVNXVZJAP-UHFFFAOYSA-N |