7-[(piperidin-1-yl)methyl]-4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(piperidin-1-yl)methyl]-4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(piperidin-1-yl)methyl]-4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0789 |
| Compound Name: | 7-[(piperidin-1-yl)methyl]-4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCOc2ccc(CN3CCCCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.704 |
| logD: | -0.0258 |
| logSw: | -2.483 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.465 |
| InChI Key: | XELVPWQALVNXLS-UHFFFAOYSA-N |