5-tert-butyl-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
5-tert-butyl-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
5-tert-butyl-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3855 |
| Compound Name: | 5-tert-butyl-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | CCc1c(C#N)c(NC(c2c3CC(CCc3on2)C(C)(C)C)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1969 |
| logD: | 2.9947 |
| logSw: | -4.9741 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.58 |
| InChI Key: | XJIBGPSWCDGQEK-GFCCVEGCSA-N |