N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1321 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4548 |
| logD: | 2.1638 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.459 |
| InChI Key: | YPWMLXIZQGMFRY-UHFFFAOYSA-N |