4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0791 |
| Compound Name: | 4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCOc2ccc(CN3CCCCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3032 |
| logD: | 0.5734 |
| logSw: | -2.6853 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.664 |
| InChI Key: | HWVCFCXCKHSDLE-UHFFFAOYSA-N |