4-(4-fluorobenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
4-(4-fluorobenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
4-(4-fluorobenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0782 |
| Compound Name: | 4-(4-fluorobenzene-1-sulfonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 404.5 |
| Molecular Formula: | C21 H25 F N2 O3 S |
| Smiles: | C1CCN(CC1)Cc1ccc2c(CN(CCO2)S(c2ccc(cc2)F)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6233 |
| logD: | 1.8935 |
| logSw: | -3.7074 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.626 |
| InChI Key: | NKPMNQFFIJBBCI-UHFFFAOYSA-N |